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：

COMPUTER PHYSICS COMMUNICATIONS | 1989年 / 54卷 / 01期

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

[1] A MULTI-CONFIGURATION OPTIMIZED CENTRAL POTENTIAL MODEL FOR ATOMIC-STRUCTURE CALCULATIONS .2. APPLICATION TO MAGNESIUM [J].

AASHAMAR, K ;

LUKE, TM ;

TALMAN, JD .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (05) :803-810

[2] PROPERTIES OF SINGLE-TERM ATOMIC STATES CALCULATED IN A VARIATIONALLY OPTIMIZED-LOCAL-CENTRAL-POTENTIAL MODEL [J].

AASHAMAR, K ;

LUKE, TM ;

TALMAN, JD .

PHYSICAL REVIEW A, 1979, 19 (01) :6-16

[3] MULTI-CONFIGURATION OPTIMIZED CENTRAL POTENTIAL METHOD FOR ATOMIC-STRUCTURE CALCULATIONS - APPLICATION TO CARBON [J].

AASHAMAR, K ;

LUKE, TM ;

TALMAN, JD .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1979, 12 (21) :3455-3464

[4]

Aashamar K., 1978, Atomic Data and Nuclear Data Tables, V22, P443, DOI 10.1016/0092-640X(78)90019-0

[5]

Bass JN., 1973, ADV QUANTUM CHEM, V7, P263, DOI [10.1016/S0065-3276(08)60564-X, DOI 10.1016/S0065-3276(08)60564-X]

[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 [J].

NORMAN, MR ;

KOELLING, DD .

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

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