学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
AN INTERPOLATION METHOD FOR FORCING SCF CONVERGENCE
被引:24
作者
:
CAMP, RN
论文数:
0
引用数:
0
h-index:
0
CAMP, RN
KING, HF
论文数:
0
引用数:
0
h-index:
0
KING, HF
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1981年
/ 75卷
/ 01期
关键词
:
D O I
:
10.1063/1.441834
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:268 / 274
页数:7
相关论文
共 17 条
[1]
SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
: 483
-
+
[2]
BOBROWICZ FW, 1977, METHODS ELECTRONIC S, P94
[3]
EXPONENTIAL TRANSFORMATION OF MOLECULAR-ORBITALS - QUADRATICALLY CONVERGENT SCF PROCEDURE .1. GENERAL FORMULATION AND APPLICATION TO CLOSED-SHELL GROUND-STATES
DOUADY, J
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
DOUADY, J
ELLINGER, Y
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
ELLINGER, Y
SUBRA, R
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
SUBRA, R
LEVY, B
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
LEVY, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(03)
: 1452
-
1462
[4]
MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
: 613
-
625
[5]
DUPUIS M, 1977, QCPE, V11, P336
[6]
DUPUIS M, 1977, QCPE, V11, P338
[7]
HEHRE WJ, 1973, QUANTUM CHEM PROGRAM, V11, P236
[8]
CORRESPONDING ORBITALS AND NONORTHOGONALITY PROBLEM IN MOLECULAR QUANTUM MECHANICS
KING, HF
论文数:
0
引用数:
0
h-index:
0
KING, HF
STANTON, RE
论文数:
0
引用数:
0
h-index:
0
STANTON, RE
KIM, H
论文数:
0
引用数:
0
h-index:
0
KIM, H
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 1936
-
&
[9]
CONVERGENCE DIFFICULTIES IN ITERATIVE HARTREE-FOCK PROCEDURE
KOUTECKY, J
论文数:
0
引用数:
0
h-index:
0
KOUTECKY, J
BONACIC, V
论文数:
0
引用数:
0
h-index:
0
BONACIC, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(05)
: 2408
-
&
[10]
LOWDIN PO, 1970, ADV QUANTUM CHEM, V5
←
1
2
→
共 17 条
[1]
SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
: 483
-
+
[2]
BOBROWICZ FW, 1977, METHODS ELECTRONIC S, P94
[3]
EXPONENTIAL TRANSFORMATION OF MOLECULAR-ORBITALS - QUADRATICALLY CONVERGENT SCF PROCEDURE .1. GENERAL FORMULATION AND APPLICATION TO CLOSED-SHELL GROUND-STATES
DOUADY, J
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
DOUADY, J
ELLINGER, Y
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
ELLINGER, Y
SUBRA, R
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
SUBRA, R
LEVY, B
论文数:
0
引用数:
0
h-index:
0
机构:
CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE
LEVY, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(03)
: 1452
-
1462
[4]
MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
: 613
-
625
[5]
DUPUIS M, 1977, QCPE, V11, P336
[6]
DUPUIS M, 1977, QCPE, V11, P338
[7]
HEHRE WJ, 1973, QUANTUM CHEM PROGRAM, V11, P236
[8]
CORRESPONDING ORBITALS AND NONORTHOGONALITY PROBLEM IN MOLECULAR QUANTUM MECHANICS
KING, HF
论文数:
0
引用数:
0
h-index:
0
KING, HF
STANTON, RE
论文数:
0
引用数:
0
h-index:
0
STANTON, RE
KIM, H
论文数:
0
引用数:
0
h-index:
0
KIM, H
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
WYATT, RE
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 1936
-
&
[9]
CONVERGENCE DIFFICULTIES IN ITERATIVE HARTREE-FOCK PROCEDURE
KOUTECKY, J
论文数:
0
引用数:
0
h-index:
0
KOUTECKY, J
BONACIC, V
论文数:
0
引用数:
0
h-index:
0
BONACIC, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(05)
: 2408
-
&
[10]
LOWDIN PO, 1970, ADV QUANTUM CHEM, V5
←
1
2
→