Challenges in density-functional theory.

被引：0
|
作者：
Becke, AD [1 ]
机构：
[1] Queens Univ, Kingston, ON K7L 3N6, Canada
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1999年 / 218卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
391-PHYS
引用
收藏
页码：U384 / U384
页数：1
相关论文
共 50 条
  • [21] SYMMETRY IN DENSITY-FUNCTIONAL THEORY
    GORLING, A
    PHYSICAL REVIEW A, 1993, 47 (04): : 2783 - 2799
  • [22] Density-functional theory on graphs
    Penz, Markus
    van Leeuwen, Robert
    JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (24) : 244111
  • [23] DENSITY-FUNCTIONAL THEORY OF SUPERCONDUCTIVITY
    FRITSCHE, L
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1994, 69 (05): : 859 - 870
  • [24] COROLLARY TO DENSITY-FUNCTIONAL THEORY
    DAVIDSON, ER
    PHYSICAL REVIEW A, 1990, 42 (05): : 2539 - 2541
  • [25] Calculations of intermolecular interaction energies using a perturbational approach based on density-functional theory.
    Tchoukova, E
    Misquitta, AJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U253 - U253
  • [26] On the importance and challenges of modelling extraterrestrial photopigments via density-functional theory
    Illner, Dorothea
    Lingam, Manasvi
    Peverati, Roberto
    MOLECULAR PHYSICS, 2024, 122 (7-8)
  • [27] DENSITY-FUNCTIONAL THEORY AS THERMODYNAMICS
    NAGY, A
    PARR, RG
    PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 1994, 106 (02): : 217 - 227
  • [28] DENSITY-FUNCTIONAL THEORY FOR SUPERCONDUCTORS
    OLIVEIRA, LN
    GROSS, EKU
    KOHN, W
    PHYSICAL REVIEW LETTERS, 1988, 60 (23) : 2430 - 2433
  • [29] ASPECTS OF DENSITY-FUNCTIONAL THEORY
    PARR, RG
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1994, 69 (05): : 737 - 743
  • [30] Implicit density-functional theory
    Liu, Bin
    Percus, Jerome K.
    PHYSICAL REVIEW A, 2006, 74 (01):
12345