A PROGRAM TO COMPUTE VARIATIONALLY OPTIMIZED EFFECTIVE ATOMIC POTENTIALS

被引：84

作者：

TALMAN, JD

机构：

[1] UNIV WESTERN ONTARIO,DEPT PHYS,LONDON N6A 5B9,ONTARIO,CANADA

[2] UNIV WESTERN ONTARIO,CTR CHEM PHYS,LONDON N6A 5B9,ONTARIO,CANADA

来源：

关键词：

D O I：

10.1016/0010-4655(89)90034-9

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：85 / 94

页数：10

共 13 条

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[2] PROPERTIES OF SINGLE-TERM ATOMIC STATES CALCULATED IN A VARIATIONALLY OPTIMIZED-LOCAL-CENTRAL-POTENTIAL MODEL
AASHAMAR, K
LUKE, TM
TALMAN, JD
[J]. PHYSICAL REVIEW A, 1979, 19 (01): : 6 - 16
[3] MULTI-CONFIGURATION OPTIMIZED CENTRAL POTENTIAL METHOD FOR ATOMIC-STRUCTURE CALCULATIONS - APPLICATION TO CARBON
AASHAMAR, K
LUKE, TM
TALMAN, JD
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1979, 12 (21) : 3455 - 3464
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[6] CHERNYSHEVA LV, 1976, COMPUT PHYS COMMUN, V11, P270
[7] FISCHER CF, 1978, HARTREEFOCK METHOD A
[8] TOWARDS A KOHN-SHAM POTENTIAL VIA THE OPTIMIZED EFFECTIVE-POTENTIAL METHOD
NORMAN, MR
KOELLING, DD
[J]. PHYSICAL REVIEW B, 1984, 30 (10): : 5530 - 5540
[9] SHARP RT, 1955, PHYS REV, V90, P316
[10] Slater J. C., 1974, SELF CONSISTENT FIEL, V4