AN IMPROVED SELF-INTERACTION-CORRECTED LOCAL SPIN-DENSITY FUNCTIONAL FOR ATOMS

被引：61

作者：

HARRISON, JG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 07期

关键词：

D O I：

10.1063/1.445296

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

收藏

页码：4562 / 4566

页数：5

相关论文

共 30 条

[1] ATOMS IN JELLIUM
BRYANT, GW
MAHAN, GD
[J]. PHYSICAL REVIEW B, 1978, 17 (04): : 1744 - 1757
[2] GROUND-STATE OF THE FERMION ONE-COMPONENT PLASMA - MONTE-CARLO STUDY IN 2 AND 3 DIMENSIONS
CEPERLEY, D
[J]. PHYSICAL REVIEW B, 1978, 18 (07): : 3126 - 3138
[3] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
CEPERLEY, DM
ALDER, BJ
[J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
[4] CALCULATED ELECTRON-AFFINITIES OF THE ELEMENTS
COLE, LA
PERDEW, JP
[J]. PHYSICAL REVIEW A, 1982, 25 (03): : 1265 - 1271
[5] CONDON EU, 1967, THEORY ATOMIC SPECTR, P356
[6] ATOMIC SELF-CONSISTENT-FIELD CALCULATIONS USING STATISTICAL APPROXIMATIONS FOR EXCHANGE AND CORRELATION
COWAN, RD
[J]. PHYSICAL REVIEW, 1967, 163 (01): : 54 - &
[7] LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
RUEDENBERG, K
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 457 - &
[8] HARRISON JA, UNPUB
[9] HARRISON JG, J PHYS B
[10] SELF-INTERACTION CORRECTION FOR ENERGY-BAND CALCULATIONS - APPLICATION TO LICL
HEATON, RA
HARRISON, JG
LIN, CC
[J]. SOLID STATE COMMUNICATIONS, 1982, 41 (11) : 827 - 829