Ensuring proper short-range and asymptotic behavior of the exchange-correlation Kohn-Sham potential by modeling with a statistical average of different orbital model potentials

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| 2000年 / John Wiley & Sons Inc, New York, NY, USA卷 / 76期

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[1] Ensuring proper short-range and asymptotic behavior of the exchange-correlation Kohn-Sham potential by modeling with a statistical average of different orbital model potentials
Gritsenko, OV
Schipper, PRT
Baerends, EJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2000, 76 (03) : 407 - 419
[2] Approximation of the exchange-correlation Kohn-Sham potential with a statistical average of different orbital model potentials
Gritsenko, OV
Schipper, PRT
Baerends, EJ
CHEMICAL PHYSICS LETTERS, 1999, 302 (3-4) : 199 - 207
[3] Direct approximation of the long- and short-range components of the exchange-correlation Kohn-Sham potential
Gritsenko, OV
VanLeeuwen, R
Baerends, EJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 61 (02) : 231 - 243
[4] Importance of the asymptotic behavior of the exchange-correlation potential in the quality of the Kohn-Sham orbitals
Chermette, H
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 150 - COMP
[5] Exchange-correlation potentials with proper discontinuities for physically meaningful Kohn-Sham eigenvalues and band structures
Goerling, Andreas
PHYSICAL REVIEW B, 2015, 91 (24)
[6] FROM ELECTRON-DENSITIES TO KOHN-SHAM KINETIC ENERGIES, ORBITAL ENERGIES, EXCHANGE-CORRELATION POTENTIALS, AND EXCHANGE-CORRELATION ENERGIES
ZHAO, QS
MORRISON, RC
PARR, RG
PHYSICAL REVIEW A, 1994, 50 (03): : 2138 - 2142
[7] Analytical asymptotic structure of the correlation-kinetic component of the Kohn-Sham exchange-correlation potential in atoms
Qian, ZX
Sahni, V
PHYSICAL REVIEW A, 1998, 57 (05) : 4041 - 4044
[8] Asymptotic Behavior of the Exchange-Correlation Energy Density and the Kohn-Sham Potential in Density Functional Theory: Exact Results and Strategy for Approximations
Kraisler, Eli
ISRAEL JOURNAL OF CHEMISTRY, 2020, 60 (8-9) : 805 - 822
[9] Universal nature of different methods of obtaining the exact Kohn-Sham exchange-correlation potential for a given density
Kumar, Ashish
Singh, Rabeet
Harbola, Manoj K.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 52 (07)
[10] Analytical asymptotic structure of the Pauli, Coulomb, and correlation-kinetic components of the Kohn-Sham theory exchange-correlation potential in atoms
Qian, ZX
Sahni, V
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 70 (4-5) : 671 - 680

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