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Google Keyword Rankings for : self consistent equations including exchange
1
Phys. Rev. 140, A1133 (1965) - Self-Consistent Equations ...
https://link.aps.org/doi/10.1103/PhysRev.140.A1133
Self-Consistent EquationsIncluding Exchange and Correlation Effects*. W. KOHN AND L. J. SHAM ... equations, and, although they also include correlation.
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https://link.aps.org/doi/10.1103/PhysRev.140.A1133
Self-Consistent EquationsIncluding Exchange and Correlation Effects*. W. KOHN AND L. J. SHAM ... equations, and, although they also include correlation.
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2
[PDF] Self-Consistent Equations Including Exchange and ...
https://www.semanticscholar.org/paper/Self-Consistent-Equations-Including-Exchange-and-Kohn-Sham/a459da147adfd6e843493214a88deef65748a88c
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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https://www.semanticscholar.org/paper/Self-Consistent-Equations-Including-Exchange-and-Kohn-Sham/a459da147adfd6e843493214a88deef65748a88c
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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3
Self-Consistent Equations Including Exchange and ... - OA.mg
https://oa.mg/work/10.1103/physrev.140.a1133
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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https://oa.mg/work/10.1103/physrev.140.a1133
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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4
Self-Consistent equations including exchange and correlation ...
http://cgl.soic.indiana.edu/jpac/QCDRef/1960s/Self-Consistent%20equations%20including%20exchange%20and%20correlation%20effects%20-%20Kohn,%20Sham%20-%201965.pdf
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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http://cgl.soic.indiana.edu/jpac/QCDRef/1960s/Self-Consistent%20equations%20including%20exchange%20and%20correlation%20effects%20-%20Kohn,%20Sham%20-%201965.pdf
In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.
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5
Kohn, W. and Sham, L.J. (1965) Self-Consistent Equations ...
https://www.scirp.org/(S(i43dyn45teexjx455qlt3d2q))/reference/ReferencesPapers.aspx?ReferenceID=1824792
Kohn, W. and Sham, L.J. (1965) Self-Consistent Equations Including Exchange and Correlation Effects. Physical Review, 140, A1133-A1138. http://dx ...
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https://www.scirp.org/(S(i43dyn45teexjx455qlt3d2q))/reference/ReferencesPapers.aspx?ReferenceID=1824792
Kohn, W. and Sham, L.J. (1965) Self-Consistent Equations Including Exchange and Correlation Effects. Physical Review, 140, A1133-A1138. http://dx ...
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6
SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE ...
https://www.osti.gov/biblio/4613789
Title: SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS ; Authors: Kohn, W; Sham, L J ; Publication Date: Mon Nov 15 00:00:00 EST 1965.
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https://www.osti.gov/biblio/4613789
Title: SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS ; Authors: Kohn, W; Sham, L J ; Publication Date: Mon Nov 15 00:00:00 EST 1965.
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7
Perspective on “Self-consistent equations including ... - Springer
https://link.springer.com/article/10.1007/s002140050031
The paper by Kohn and Sham (KS) is important for at least two reasons. First, it is the basis for practical methods for density functional calculations.
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https://link.springer.com/article/10.1007/s002140050031
The paper by Kohn and Sham (KS) is important for at least two reasons. First, it is the basis for practical methods for density functional calculations.
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8
(PDF) Self-Consistent Equations Including Exchange and ...
https://typeset.io/papers/self-consistent-equations-including-exchange-and-correlation-4203sh1swl
For the ground state, they lead to self-consistent equations analogous to the Hartree and Hartree-Fock equations, respectively. In these equations the ...
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https://typeset.io/papers/self-consistent-equations-including-exchange-and-correlation-4203sh1swl
For the ground state, they lead to self-consistent equations analogous to the Hartree and Hartree-Fock equations, respectively. In these equations the ...
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9
Perspective on "Self-consistent equations including exchange ...
https://www.researchgate.net/publication/225711846_Perspective_on_Self-consistent_equations_including_exchange_and_correlation_effects_-_Kohn_W_Sham_LJ_1965_Phys_Rev_A_140_133-1138
... Calculations of structural optimization and electronic characteristics are carried out within the density functional theory framework, 34 as ...
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https://www.researchgate.net/publication/225711846_Perspective_on_Self-consistent_equations_including_exchange_and_correlation_effects_-_Kohn_W_Sham_LJ_1965_Phys_Rev_A_140_133-1138
... Calculations of structural optimization and electronic characteristics are carried out within the density functional theory framework, 34 as ...
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10
Self-consistent solution of Kohn-Sham equations for infinitely ...
https://arxiv.org/pdf/0907.1247
sult of self-consistent calculation by means of the complete set of equations (2.14)-(2.19) with expression (2.7) for the induced electron density, exchange ...
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https://arxiv.org/pdf/0907.1247
sult of self-consistent calculation by means of the complete set of equations (2.14)-(2.19) with expression (2.7) for the induced electron density, exchange ...
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11
Self-Consistent Equations Including Exchange ... - ScienceOpen
https://www.scienceopen.com/document?vid=b1eac935-3fb1-4f2f-8585-fd3c31b49402
Self-Consistent Equations Including Exchange and Correlation Effects ; Issue: 4A ; Pages: A1133-A1138 ; DOI: 10.1103/PhysRev.140.A1133 ; SO-VID: b1eac935-3fb1-4f2f- ...
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https://www.scienceopen.com/document?vid=b1eac935-3fb1-4f2f-8585-fd3c31b49402
Self-Consistent Equations Including Exchange and Correlation Effects ; Issue: 4A ; Pages: A1133-A1138 ; DOI: 10.1103/PhysRev.140.A1133 ; SO-VID: b1eac935-3fb1-4f2f- ...
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12
Self-consistent Equations Including Exchange ... - Google Books
https://books.google.com/books/about/Self_consistent_Equations_Including_Exch.html?hl=zh-CN&id=AnxTNwAACAAJ
Translate this page
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https://books.google.com/books/about/Self_consistent_Equations_Including_Exch.html?hl=zh-CN&id=AnxTNwAACAAJ
Translate this page
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13
Article citationsMore - Science and Education Publishing
http://www.sciepub.com/reference/388908
Kohn, W., & Sham, L. J., “Self-consistent equations including exchange and correlation effects,” Physical review, 140(4A), A1133.1965.
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http://www.sciepub.com/reference/388908
Kohn, W., & Sham, L. J., “Self-consistent equations including exchange and correlation effects,” Physical review, 140(4A), A1133.1965.
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14
Self-consistent field, with exchange, for beryllium - Journals
https://royalsocietypublishing.org/doi/10.1098/rspa.1935.0085
by DR Hartree · 1935 · Cited by 303 —
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https://royalsocietypublishing.org/doi/10.1098/rspa.1935.0085
by DR Hartree · 1935 · Cited by 303 —
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15
Kohn65 - Gaussian.com
https://gaussian.com/glossary/kohn65/
W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Phys. Rev., 140 (1965) A1133-A38. DOI: 10.1103/PhysRev.140.
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https://gaussian.com/glossary/kohn65/
W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Phys. Rev., 140 (1965) A1133-A38. DOI: 10.1103/PhysRev.140.
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16
Self-Consistent Field, with Exchange, for Cl - JSTOR
https://www.jstor.org/stable/96714
of Fock's equations for heavier atoms; calculations for Cu+, in progress at the time of writing, will carry this a step further.
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https://www.jstor.org/stable/96714
of Fock's equations for heavier atoms; calculations for Cu+, in progress at the time of writing, will carry this a step further.
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17
Kohn–Sham equations - Wikipedia
https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations
In physics and quantum chemistry, specifically density functional theory, the Kohn–Sham ... "Self-Consistent Equations Including Exchange and Correlation Effects".
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https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations
In physics and quantum chemistry, specifically density functional theory, the Kohn–Sham ... "Self-Consistent Equations Including Exchange and Correlation Effects".
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18
Self-consistent field, with exchange, for beryllium
http://users.wfu.edu/natalie/s20phy742/lecturenote/HartreeHartree1935.pdf
should be a minimum for arbitrary small variations of the radial wave functions P. The most simple and direct method of deriving Fock's equations, for any given ...
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http://users.wfu.edu/natalie/s20phy742/lecturenote/HartreeHartree1935.pdf
should be a minimum for arbitrary small variations of the radial wave functions P. The most simple and direct method of deriving Fock's equations, for any given ...
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19
Neural-network Kohn-Sham exchange-correlation potential ...
https://aip.scitation.org/doi/abs/10.1063/1.5029279
We incorporate in the Kohn-Sham self-consistent equation a trained neural-network projection from the charge density distribution to the ...
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https://aip.scitation.org/doi/abs/10.1063/1.5029279
We incorporate in the Kohn-Sham self-consistent equation a trained neural-network projection from the charge density distribution to the ...
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20
Converging self-consistent field equations in quantum chemistry
http://www.numdam.org/item/M2AN_2007__41_2_281_0/
This paper reviews popular acceleration techniques to converge the non-linear self-consistent field equations appearing in quantum chemistry calculations ...
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http://www.numdam.org/item/M2AN_2007__41_2_281_0/
This paper reviews popular acceleration techniques to converge the non-linear self-consistent field equations appearing in quantum chemistry calculations ...
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21
Set of three self-consistent coupled 'gap' equations
https://mathematica.stackexchange.com/questions/265335/set-of-three-self-consistent-coupled-gap-equations
With this code we can reproduce picture for mass and Φ. Nc = 3; Nf = 2; Lambda = \[CapitalLambda] = 651;(*MeV*)m = 5.6;(*MeV*)Tc = 215; G = 10.08 10^-6; ...
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https://mathematica.stackexchange.com/questions/265335/set-of-three-self-consistent-coupled-gap-equations
With this code we can reproduce picture for mass and Φ. Nc = 3; Nf = 2; Lambda = \[CapitalLambda] = 651;(*MeV*)m = 5.6;(*MeV*)Tc = 215; G = 10.08 10^-6; ...
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22
Truly self-consistent solution of Kohn-Sham equations for ...
http://iopscience.iop.org/article/10.1088/1742-6596/510/1/012029/pdf
the Kohn-Sham equations, the general method of self-consistent solution involves ... and with taking into account the exchange-correlation interaction.
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http://iopscience.iop.org/article/10.1088/1742-6596/510/1/012029/pdf
the Kohn-Sham equations, the general method of self-consistent solution involves ... and with taking into account the exchange-correlation interaction.
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23
Self-consistent approximation to the Kohn-Sham exchange ...
https://www.academia.edu/14600584/Self_consistent_approximation_to_the_Kohn_Sham_exchange_potential
u"(r) = K h -Sham equations (hartree atom-In the one-electron o nic units will be used throughout the paper) --'V +u (r)+uH(r)+u"(r)+uc(r) jgf(1 /eP/ r GGA ...
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https://www.academia.edu/14600584/Self_consistent_approximation_to_the_Kohn_Sham_exchange_potential
u"(r) = K h -Sham equations (hartree atom-In the one-electron o nic units will be used throughout the paper) --'V +u (r)+uH(r)+u"(r)+uc(r) jgf(1 /eP/ r GGA ...
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24
The 100 most highly cited papers of all time | Dateas.com
https://www.dateas.com/es/explore/highly-cited-papers/selfconsistent-equations-including-exchange-and-correlation-effects-34
Self-consistent equations including exchange and correlation effects. Rank, 34. Authors, Kohn W. & Sham L. J.. Journal, Phys. Rev. Volume, 140.
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https://www.dateas.com/es/explore/highly-cited-papers/selfconsistent-equations-including-exchange-and-correlation-effects-34
Self-consistent equations including exchange and correlation effects. Rank, 34. Authors, Kohn W. & Sham L. J.. Journal, Phys. Rev. Volume, 140.
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25
What is a self-consistent equation in percolation theory
https://mathoverflow.net/questions/284780/what-is-a-self-consistent-equation-in-percolation-theory
"self-consistency" is just jargon for an equation that expresses a quantity M in terms of properties of the medium F which themselves depend on ...
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https://mathoverflow.net/questions/284780/what-is-a-self-consistent-equation-in-percolation-theory
"self-consistency" is just jargon for an equation that expresses a quantity M in terms of properties of the medium F which themselves depend on ...
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26
Numerical methods for Kohn–Sham density functional theory
https://par.nsf.gov/servlets/purl/10146743
exchange-correlation functionals obtained from quantum Monte Carlo cal- ... The Kohn–Sham equations (2.32) must be solved self-consistently with.
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https://par.nsf.gov/servlets/purl/10146743
exchange-correlation functionals obtained from quantum Monte Carlo cal- ... The Kohn–Sham equations (2.32) must be solved self-consistently with.
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27
Self-Consistent Fields
https://www3.nd.edu/~johnson/Class01F/chap3a.pdf
Table 3.1: Coefficients of the exchange Slater integrals in the nonrelativistic. Hartree-Fock equations: Λlallb . These coefficients are symmetric with respect.
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https://www3.nd.edu/~johnson/Class01F/chap3a.pdf
Table 3.1: Coefficients of the exchange Slater integrals in the nonrelativistic. Hartree-Fock equations: Λlallb . These coefficients are symmetric with respect.
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28
Lecture X : Self-consistent solution of the Kohn-Sham equation
http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-10.pdf
As shown in previous lectures, the Kohn-Sham equations have each the form of a single-particle Schrödinger equation with the difference that the effective ...
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http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-10.pdf
As shown in previous lectures, the Kohn-Sham equations have each the form of a single-particle Schrödinger equation with the difference that the effective ...
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29
THE SELF-CONSISTENT FIELD WITH EXCHANGE FOR ...
https://cdnsciencepub.com/doi/pdf/10.1139/p58-032?download=true
THE SELF-CONSISTENT FIELD WITH EXCHANGE FOR NEON ... The Hartree-Fock equations are of tlie general forl-n ... consistent field" (S.C.F.).
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https://cdnsciencepub.com/doi/pdf/10.1139/p58-032?download=true
THE SELF-CONSISTENT FIELD WITH EXCHANGE FOR NEON ... The Hartree-Fock equations are of tlie general forl-n ... consistent field" (S.C.F.).
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30
Finite element solution of the Kohn-Sham equations
https://onlinelibrary.wiley.com/doi/pdf/10.1002/pamm.201110237
equations is developed, based upon which the electron density is obtained in ... Self-Consistent Equations Including Exchange and Correlation Effects, Phys.
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https://onlinelibrary.wiley.com/doi/pdf/10.1002/pamm.201110237
equations is developed, based upon which the electron density is obtained in ... Self-Consistent Equations Including Exchange and Correlation Effects, Phys.
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31
self-consistent field equations: Topics by WorldWideScience.org
https://worldwidescience.org/topicpages/s/self-consistent+field+equations.html
Self-consistent field theory of collisions: Orbital equations with asymptotic sources and self-averaged potentials · Energy Technology Data Exchange ...
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https://worldwidescience.org/topicpages/s/self-consistent+field+equations.html
Self-consistent field theory of collisions: Orbital equations with asymptotic sources and self-averaged potentials · Energy Technology Data Exchange ...
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32
Self consistent solution | Physics Forums
https://www.physicsforums.com/threads/self-consistent-solution.321241/
Self-consistency is the condition that . ... See also the original Kohn-Sham paper - "Self-Consistent Equations Including Exchange and Correlation ...
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https://www.physicsforums.com/threads/self-consistent-solution.321241/
Self-consistency is the condition that . ... See also the original Kohn-Sham paper - "Self-Consistent Equations Including Exchange and Correlation ...
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33
Constrained Density Functional Theory: A Potential-Based ...
https://pubs.acs.org/doi/10.1021/acs.jctc.2c00673
Density- and Potential-Based DFT Self-Consistency Approaches ... Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and ...
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https://pubs.acs.org/doi/10.1021/acs.jctc.2c00673
Density- and Potential-Based DFT Self-Consistency Approaches ... Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and ...
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34
Importance of charge self-consistency in first ... - Nature
https://www.nature.com/articles/s41524-021-00676-5
Kohn, W. & Sham, L. J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133–A1138 (1965).
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https://www.nature.com/articles/s41524-021-00676-5
Kohn, W. & Sham, L. J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133–A1138 (1965).
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35
Lecture 6 Kohn-Sham DFT CHEM6085
https://www.southampton.ac.uk/assets/centresresearch/documents/compchem/DFT_L6.pdf
“Self-consistent equations including exchange and correlation effects”, Phys. Rev. 140, A1133 (1965) ]. CHEM6085 Density Functional Theory ...
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https://www.southampton.ac.uk/assets/centresresearch/documents/compchem/DFT_L6.pdf
“Self-consistent equations including exchange and correlation effects”, Phys. Rev. 140, A1133 (1965) ]. CHEM6085 Density Functional Theory ...
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36
Self-consistent equations including exchange & correlation ...
https://elib.bsu.by/handle/123456789/154532
Заглавие документа: Self-consistent equations including exchange & correlation effects ; Авторы: Kohn, W. · Sham, L. J. ; Тема: ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ ...
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https://elib.bsu.by/handle/123456789/154532
Заглавие документа: Self-consistent equations including exchange & correlation effects ; Авторы: Kohn, W. · Sham, L. J. ; Тема: ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ ...
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37
Kohn-Sham Equation - an overview | ScienceDirect Topics
https://www.sciencedirect.com/topics/engineering/kohn-sham-equation
To solve the Kohn–Sham equations for metallic systems, iterative methods, also called self-consistency methods, together with an iterative improvement of ...
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https://www.sciencedirect.com/topics/engineering/kohn-sham-equation
To solve the Kohn–Sham equations for metallic systems, iterative methods, also called self-consistency methods, together with an iterative improvement of ...
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38
Computing the self-consistent field in Kohn-Sham density ...
https://eprints.whiterose.ac.uk/185647/1/Woods_2019_J._Phys._Condens._Matter_31_453001.pdf
Keywords: self-consistent field methods, density mixing, ... equations with certain methods of biasing the solution toward.
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https://eprints.whiterose.ac.uk/185647/1/Woods_2019_J._Phys._Condens._Matter_31_453001.pdf
Keywords: self-consistent field methods, density mixing, ... equations with certain methods of biasing the solution toward.
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39
Converging self-consistent field equations in quantum chemistry
https://www.esaim-m2an.org/articles/m2an/pdf/2007/02/m2an0596.pdf
field equations appearing in quantum chemistry calculations with localized basis ... Hartree-Fock equations, self-consistent field, convergence acceleration ...
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https://www.esaim-m2an.org/articles/m2an/pdf/2007/02/m2an0596.pdf
field equations appearing in quantum chemistry calculations with localized basis ... Hartree-Fock equations, self-consistent field, convergence acceleration ...
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40
The Self-Consistent Field Approximation (Hartree-Fock Method)
https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Book%3A_Quantum_States_of_Atoms_and_Molecules_(Zielinksi_et_al)/09%3A_The_Electronic_States_of_the_Multielectron_Atoms/9.07%3A_The_Self-Consistent_Field_Approximation_(Hartree-Fock_Method)
The minus sign results from the wavefunction being antisymmetric with respect to electron exchange. Exercise 9.7.33. Rewrite Equation 9.7.13 ...
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https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Book%3A_Quantum_States_of_Atoms_and_Molecules_(Zielinksi_et_al)/09%3A_The_Electronic_States_of_the_Multielectron_Atoms/9.07%3A_The_Self-Consistent_Field_Approximation_(Hartree-Fock_Method)
The minus sign results from the wavefunction being antisymmetric with respect to electron exchange. Exercise 9.7.33. Rewrite Equation 9.7.13 ...
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41
10 Self-consistent field theory
https://www2.ph.ed.ac.uk/~gja/qp/qp10.pdf
The idea is to solve the Schroedinger equation for an electron moving in the potential of the nucleus and all the other electrons. We start with a guess for the ...
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https://www2.ph.ed.ac.uk/~gja/qp/qp10.pdf
The idea is to solve the Schroedinger equation for an electron moving in the potential of the nucleus and all the other electrons. We start with a guess for the ...
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42
The self-consistent field with exchange for some 10 and 12 ...
https://www.cambridge.org/core/journals/mathematical-proceedings-of-the-cambridge-philosophical-society/article/selfconsistent-field-with-exchange-for-some-10-and-12-electron-systems/6EDC56FC630C63A3B53DE8A90B1403CD
The results of self-consistent field calculations with exchange for the ground-state configurations of F−, Fe+16, +14, Al+3, +1 are presented.
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https://www.cambridge.org/core/journals/mathematical-proceedings-of-the-cambridge-philosophical-society/article/selfconsistent-field-with-exchange-for-some-10-and-12-electron-systems/6EDC56FC630C63A3B53DE8A90B1403CD
The results of self-consistent field calculations with exchange for the ground-state configurations of F−, Fe+16, +14, Al+3, +1 are presented.
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43
Bypassing the Kohn-Sham equations with machine learning
https://pure.mpg.de/rest/items/item_2492364/component/file_2492363/content
equation which is solved in the self-consistent cycle and (ii) when ... Kohn, W. & Sham, L. J. Self-consistent equations including exchange and.
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https://pure.mpg.de/rest/items/item_2492364/component/file_2492363/content
equation which is solved in the self-consistent cycle and (ii) when ... Kohn, W. & Sham, L. J. Self-consistent equations including exchange and.
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44
Self-Consistent Equations Including Exchange And ... - SID.ir
https://www.sid.ir/en/Journal/ViewPaper.aspx?ID=314818
Download Free Full-Text of an article Self-Consistent Equations Including Exchange And Correlation Effects.
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https://www.sid.ir/en/Journal/ViewPaper.aspx?ID=314818
Download Free Full-Text of an article Self-Consistent Equations Including Exchange And Correlation Effects.
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45
Self-consistency - Questaal
https://www.questaal.org/docs/numerics/self_consistency/
Self-consistency is a concept closely linked with mean-field theories. In mean-field treatment of the Schrodinger equation, interacting particles give off a ...
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https://www.questaal.org/docs/numerics/self_consistency/
Self-consistency is a concept closely linked with mean-field theories. In mean-field treatment of the Schrodinger equation, interacting particles give off a ...
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46
itab018.pdf - Oxford Academic
https://academic.oup.com/ooms/article-pdf/1/1/itab018/45723625/itab018.pdf
Further analytical approximations to simplify the mean-field equations are described, including weak inhomogeneity and slow gradient expansions, ground state ...
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https://academic.oup.com/ooms/article-pdf/1/1/itab018/45723625/itab018.pdf
Further analytical approximations to simplify the mean-field equations are described, including weak inhomogeneity and slow gradient expansions, ground state ...
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47
Self-consistent field (SCF) methods - PySCF
https://pyscf.org/user/scf.html
Self-consistent field (SCF) methods include both Hartree-Fock (HF) theory and Kohn-Sham (KS) density functional theory (DFT). Self-consistent field theories ...
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https://pyscf.org/user/scf.html
Self-consistent field (SCF) methods include both Hartree-Fock (HF) theory and Kohn-Sham (KS) density functional theory (DFT). Self-consistent field theories ...
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48
A Spectrum Slicing Method for the Kohn-Sham Problem
https://www-users.cse.umn.edu/~saad/PDF/umsi-2011-142.pdf
Solving the Kohn-Sham equation, which arises in density functional ... Self-consistent equations including exchange and correlation effects.
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https://www-users.cse.umn.edu/~saad/PDF/umsi-2011-142.pdf
Solving the Kohn-Sham equation, which arises in density functional ... Self-consistent equations including exchange and correlation effects.
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49
Numerical Solution of the Kohn-Sham equation by finite ...
https://users.math.msu.edu/users/ghhu/manuscripts/nhu03.pdf
Sham, Self-consistent equations including exchange and correlation effects,. Physical Reivew, 140 (1965), pp. A1133–A1138. [20] S. Kotochigova, Z. H. Levine, ...
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https://users.math.msu.edu/users/ghhu/manuscripts/nhu03.pdf
Sham, Self-consistent equations including exchange and correlation effects,. Physical Reivew, 140 (1965), pp. A1133–A1138. [20] S. Kotochigova, Z. H. Levine, ...
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50
Hartree-Fock Equations and Self Consistent Fields - YouTube
https://www.youtube.com/watch?v=iPRW1ft90vk
IIT Bombay July 2018
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https://www.youtube.com/watch?v=iPRW1ft90vk
IIT Bombay July 2018
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SELF-CONSISTENT GRADIENT-LIKE EIGEN DECOM
https://openreview.net/pdf?id=pzgENfIRBil
The Schrödinger equation is at the heart of modern quantum mechanics. Since ... Self-consistent equations including exchange and correlation effects.
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https://openreview.net/pdf?id=pzgENfIRBil
The Schrödinger equation is at the heart of modern quantum mechanics. Since ... Self-consistent equations including exchange and correlation effects.
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52
Density Functional Theory for Electrons in Materials
https://courses.physics.illinois.edu/phys598SCM/fa2004/lecture_notes/lect05-06-DFT-notes-tex/598SCM-2004-DFT.pdf
Solution of the Kohn-Sham ”Schrödinger-like” Equations. • Results: H, He, H2 ... [3] W. Kohn and L. J. Sham, 'Self-consistent equations including exchange.
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https://courses.physics.illinois.edu/phys598SCM/fa2004/lecture_notes/lect05-06-DFT-notes-tex/598SCM-2004-DFT.pdf
Solution of the Kohn-Sham ”Schrödinger-like” Equations. • Results: H, He, H2 ... [3] W. Kohn and L. J. Sham, 'Self-consistent equations including exchange.
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53
678 DENSITY FUNCTIONAL THEORY (DFT), HARTREE ...
http://rsc.anu.edu.au/~pgill/papers/066ECC.pdf
The self-consistent field (SCF) concept is the keystone ... with coordinates r;, the total energy of the electrons is found by solving the Schrödinger ...
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http://rsc.anu.edu.au/~pgill/papers/066ECC.pdf
The self-consistent field (SCF) concept is the keystone ... with coordinates r;, the total energy of the electrons is found by solving the Schrödinger ...
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54
Importance of charge self-consistency in first ... - NREL
https://www.nrel.gov/docs/fy22osti/81840.pdf
which combine first-principle calculations with model treatments ... Kohn, W. & Sham, L. J. Self-consistent equations including exchange and corre-.
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https://www.nrel.gov/docs/fy22osti/81840.pdf
which combine first-principle calculations with model treatments ... Kohn, W. & Sham, L. J. Self-consistent equations including exchange and corre-.
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55
ESQC - Lecture I: Self-consistent field methods
http://www.esqc.org/lectures/WK1.pdf
Self-consistent field (SCF) or mean-field methods are widely used in physics to ... This equation in turn defines the Coulomb operator ˆJ and the exchange ...
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http://www.esqc.org/lectures/WK1.pdf
Self-consistent field (SCF) or mean-field methods are widely used in physics to ... This equation in turn defines the Coulomb operator ˆJ and the exchange ...
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56
Advanced DFT - SISSA People Personal Home Pages
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https://people.sissa.it/~degironc/ES/OEP.pdf
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Green Functions and Self-Consistency - GitHub Pages
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that, in general, self-consistency deteriorates the results with respect to ... equations yielding G, which does not require the explicit.
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https://pfloos.github.io/WEB_LOOS/pub/60.pdf
that, in general, self-consistency deteriorates the results with respect to ... equations yielding G, which does not require the explicit.
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58
Self-consistent Hartree method for calculations of exciton ...
https://physics.qc.cuny.edu/uploads/4/articles/Superlatt%20Microstr%2040-77-2006.pdf
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https://physics.qc.cuny.edu/uploads/4/articles/Superlatt%20Microstr%2040-77-2006.pdf
would result in exchange terms in the regular many particle Hartree–Fock ... model used for calculations and derive general self-consistent equations.
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59
Self-Consistent Field Equations for H2 and H3 (Classic Reprint)
https://www.amazon.com/Self-Consistent-Field-Equations-Classic-Reprint/dp/1332934471
Accordingly, it seems that it would be worth while making a self consistent field calculation to find the ground-state energy for three electrons moving about ...
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https://www.amazon.com/Self-Consistent-Field-Equations-Classic-Reprint/dp/1332934471
Accordingly, it seems that it would be worth while making a self consistent field calculation to find the ground-state energy for three electrons moving about ...
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60
6 Charge Self-Consistency in Correlated Electronic Structure ...
https://www.cond-mat.de/events/correl18/manuscripts/lechermann.pdf
also often termed self-consistent field (SCF) equations. ... the latter exchange-correlation functional does not only include the effect of Pauli exchange.
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https://www.cond-mat.de/events/correl18/manuscripts/lechermann.pdf
also often termed self-consistent field (SCF) equations. ... the latter exchange-correlation functional does not only include the effect of Pauli exchange.
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61
FlapwMBPT - COMSCOPE - Brookhaven National Laboratory
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(self-consistent) GW: Common GW approximations solve (self-consistently) the simplest set of Hedin's equations, which are based on a first order expansion of ...
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https://www.bnl.gov/comscope/software/flapwMBPT.php
(self-consistent) GW: Common GW approximations solve (self-consistently) the simplest set of Hedin's equations, which are based on a first order expansion of ...
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62
An Overview of Self-Consistent Field Calculations Within ...
https://researchportal.helsinki.fi/files/137680269/molecules_25_01218_v2.pdf
The self-consistent field equations are derived in a ... a “pure” density functional without exact exchange such as the ...
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https://researchportal.helsinki.fi/files/137680269/molecules_25_01218_v2.pdf
The self-consistent field equations are derived in a ... a “pure” density functional without exact exchange such as the ...
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63
Kohn–Sham equation - Hellenica World
https://www.hellenicaworld.com/Science/Physics/en/KohnShamEquation.html
"Self-Consistent Equations Including Exchange and Correlation Effects". Physical Review. 140 (4A): A1133–A1138. Bibcode:1965PhRv..140.1133K. doi:10.1103/PhysRev ...
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https://www.hellenicaworld.com/Science/Physics/en/KohnShamEquation.html
"Self-Consistent Equations Including Exchange and Correlation Effects". Physical Review. 140 (4A): A1133–A1138. Bibcode:1965PhRv..140.1133K. doi:10.1103/PhysRev ...
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64
Evaluation of the Self-Consistent Sternheimer Method in a ...
https://research.tue.nl/files/174886836/Zeller_J..pdf
energy of the system with the exchange-correlation energy of a homogeneous ... teraction, one can derive a self-consistent system of five equations, ...
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https://research.tue.nl/files/174886836/Zeller_J..pdf
energy of the system with the exchange-correlation energy of a homogeneous ... teraction, one can derive a self-consistent system of five equations, ...
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65
MIXING ALGORITHMS FOR FIXED-POINT ITERATIONS IN ...
https://dspace5.zcu.cz/bitstream/11025/34752/1/613_Cimrman.pdf
of a self-consistent state by a fixed-point iteration, the so called DFT loop. ... Self-consistent equations including exchange and correlation effects.
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https://dspace5.zcu.cz/bitstream/11025/34752/1/613_Cimrman.pdf
of a self-consistent state by a fixed-point iteration, the so called DFT loop. ... Self-consistent equations including exchange and correlation effects.
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66
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The course is intended for students and researchers with knowledge of ... The Self-Consistent procedure is very often attributed to Douglas ...
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https://www.coursera.org/lecture/density-functional-theory/solving-the-ks-equation-MUH3p
The course is intended for students and researchers with knowledge of ... The Self-Consistent procedure is very often attributed to Douglas ...
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67
A posteriori error estimation for the non-self-consistent Kohn ...
https://pubs.rsc.org/en/content/articlelanding/2020/fd/d0fd00048e
In this contribution, we compute fully-guaranteed bounds on the solution of the non-self-consistent equations in the pseudopotential approximation in a ...
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https://pubs.rsc.org/en/content/articlelanding/2020/fd/d0fd00048e
In this contribution, we compute fully-guaranteed bounds on the solution of the non-self-consistent equations in the pseudopotential approximation in a ...
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68
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Chapter 4 Arrangement Of Electrons In Atoms Test - Field Roast
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With version 1 (provided for reproducing random sequences from older versions of ... Return an object capturing the current internal state of the generator.
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Circular reference in Excel: how to find, enable, use, or remove
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Book Publishing Startups in the U.S. 2022
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Assignment Classical Mechanic Solution [PDF]
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text, or self-study guide this book is useful for science ... correlates with topics found in standard classical mechanics texts.; ...
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vasp dielectric constant
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CAGR Calculator (Compound Annual Growth Rate) - ICICIdirect
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The CAGR return calculator will provide you with an annual growth rate ... Mathematically speaking, the CAGR formula is given by the following equation-.
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9 Artihmetic Of Equations (PDF)
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93
Advances in Atomic, Molecular, and Optical Physics
https://books.google.com/books?id=St2oBAAAQBAJ&pg=PA13&lpg=PA13&dq=self+consistent+equations+including+exchange&source=bl&ots=SyGQy8-_O4&sig=ACfU3U0Hs8DcJ4azDpnyqrdZzVP70V8olg&hl=en&sa=X&ved=2ahUKEwiFh_mOxrn7AhULlWoFHYs6DUMQ6AF6BQjNAhAD
Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133–A1138. Kurth, S., Perdew, J., 2000.
→ Check Latest Keyword Rankings ←
https://books.google.com/books?id=St2oBAAAQBAJ&pg=PA13&lpg=PA13&dq=self+consistent+equations+including+exchange&source=bl&ots=SyGQy8-_O4&sig=ACfU3U0Hs8DcJ4azDpnyqrdZzVP70V8olg&hl=en&sa=X&ved=2ahUKEwiFh_mOxrn7AhULlWoFHYs6DUMQ6AF6BQjNAhAD
Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133–A1138. Kurth, S., Perdew, J., 2000.
→ Check Latest Keyword Rankings ←
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