AN ECONOMICAL TECHNIQUE FOR FORCING CONVERGENCE IN CONVENTIONAL SCF METHODS

被引：20

作者：

RICO, JF

DELAVEGA, JMG

PANIAGUA, M

FERNANDEZALONSO, JI

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 79卷 / 09期

关键词：

D O I：

10.1063/1.446325

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：4407 / 4411

页数：5

相关论文

共 20 条

[1] ABSAR I, 1970, CHEM PHYS LETT, V39, P609
[2] CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS
BANERJEE, A
GREIN, F
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) : 123 - 134
[3] AN INTERPOLATION METHOD FOR FORCING SCF CONVERGENCE
CAMP, RN
KING, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 268 - 274
[4] CARBO R, 1978, GENERAL SCF THEORY
[5] DOUDAY J, 1980, J CHEM PHYS, V72, P1452
[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
DITCHFIELD, R
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2257 - +
[7] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD
HINZE, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) : 6424 - 6432
[8] HUZINAGA S, 1976, J CHEM PHYS, V65, P265
[9] Levy, 1970, INT J QUANTUM CHEM, V4, P297
[10] MULTICONFIGURATION SELF-CONSISTENT WAVEFUNCTIONS FOR CH4, C2H4 AND C2H6
LEVY, B
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (01) : 59 - 62