EFFICIENT EXCITED-STATE EXCHANGE-CORRELATION POTENTIALS

被引:4
|
作者
LU, D [1 ]
DELEON, JM [1 ]
REHR, JJ [1 ]
机构
[1] WASHINGTON UNIV,DEPT PHYS,ST LOUIS,MO 63130
来源
PHYSICA B | 1989年 / 158卷 / 1-3期
关键词
D O I
10.1016/0921-4526(89)90330-X
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:413 / 414
页数:2
相关论文
共 50 条
  • [21] A Comparison of Exact and Model Exchange-Correlation Potentials for Molecules
    Kanungo, Bikash
    Zimmerman, Paul M.
    Gavini, Vikram
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (50): : 12012 - 12019
  • [22] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansion Approximation
    Higuchi, Katsuhiko
    Higuchi, Masahiko
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2011, 80
  • [23] Unified construction of Fermi, Pauli and exchange-correlation potentials
    Staroverov, Viktor N.
    Ospadov, Egor
    STATE OF THE ART OF MOLECULAR ELECTRONIC STRUCTURE COMPUTATIONS: CORRELATION METHODS, BASIS SETS AND MORE, 2019, 79 : 201 - 219
  • [24] Exact exchange-correlation potentials from electron densities
    Kanungo, Bikash
    Gavini, Vikram
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [25] Tight constraints on the exchange-correlation potentials of degenerate states
    Ayers, Paul W.
    Levy, Mel
    JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (18):
  • [26] EXCHANGE-CORRELATION POTENTIALS IN SCHOTTKY BARRIERS AND HETEROJUNCTIONS - REPLY
    DAS, GP
    BLOCHL, P
    ANDERSEN, OK
    CHRISTENSEN, NE
    GUNNARSSON, O
    PHYSICAL REVIEW LETTERS, 1990, 65 (16) : 2084 - 2084
  • [27] Calculation of exchange-correlation potentials with auxiliary function densities
    Köster, AM
    Reveles, JU
    del Campo, JM
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (08): : 3417 - 3424
  • [28] Origin of the step structure of molecular exchange-correlation potentials
    Kohut, Sviataslau V.
    Polgar, Alexander M.
    Staroverov, Viktor N.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (31) : 20938 - 20944
  • [29] Digging into the exchange-correlation energy: The exchange-correlation hole
    Burke, K
    ELECTRONIC DENSITY FUNCTIONAL THEORY: RECENT PROGRESS AND NEW DIRECTIONS, 1998, : 19 - 29
  • [30] Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions
    Tran, Fabien
    Doumont, Jan
    Kalantari, Leila
    Huran, Ahmad W.
    Marques, Miguel A. L.
    Blaha, Peter
    Journal of Applied Physics, 2019, 126 (11):