Toward understanding the exchange-correlation energy and total-energy density functionals

被引：0
|
作者：
Parr, Robert G.
Ghosh, Swapan K.
机构：
来源：
Physical Review A. Atomic, Molecular, and Optical Physics | 1995年 / 51卷 / 05期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] Dependence of Structural and Electronic Properties of Uranium Monochalcogenides on Exchange-Correlation Energy Functionals
    Suzuki, Shugo
    Ohta, Hidehisa
    Komatsu, Takumi
    Yasuda, Sho
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2011, 80 (08)
  • [32] Unambiguous exchange-correlation energy density for Hooke's atom
    Burke, K
    Cruz, FG
    Lam, KC
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 70 (4-5) : 583 - 589
  • [33] Virial exchange-correlation energy density in Hooke's atom
    Lam, KC
    Cruz, FG
    Burke, K
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 69 (04) : 533 - 540
  • [34] Directly patching exchange-correlation energy in density functional theory
    Huang, Chen
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [35] Electron correlation and the structure of the exchange-correlation potential and the correlation energy density in density functional theory
    Baerends, EJ
    Gritsenko, O
    vanLeeuwen, R
    NEW METHODS IN QUANTUM THEORY, 1996, 8 : 395 - 413
  • [36] Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids
    Tran, Fabien
    Kovacs, Peter
    Kalantari, Leila
    Madsen, Georg K. H.
    Blaha, Peter
    JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (14):
  • [37] Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals
    Maximoff, SN
    Scuseria, GE
    CHEMICAL PHYSICS LETTERS, 2004, 390 (4-6) : 408 - 412
  • [38] DENSITY FUNCTIONALS FOR EXCHANGE ENERGY
    PAYNE, PW
    FUJIWARA, FW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1979, (APR): : 415 - 415
  • [39] Current density in exchange-correlation functionals: Application to atomic states
    Becke, AD
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (15): : 6935 - 6938
  • [40] Efficient and accurate numerical integration of exchange-correlation density functionals
    Chang, Chun-Min
    Russ, Nicholas J.
    Kong, Jing
    PHYSICAL REVIEW A, 2011, 84 (02):
12345