COMPARISON OF THE CONVERGENCE CHARACTERISTICS OF SOME ITERATIVE WAVEFUNCTION OPTIMIZATION METHODS

被引：155

作者：

SHEPARD, R

SHAVITT, I

SIMONS, J

机构：

[1] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA

[2] UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 01期

关键词：

D O I：

10.1063/1.442701

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：543 / 557

页数：15

相关论文

共 48 条

[1] [Anonymous], 1971, COMPUTATIONAL METHOD
[2] MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH
BANERJEE, A
GREIN, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (03) : 1054 - 1062
[3] CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS
BANERJEE, A
GREIN, F
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) : 123 - 134
[4] Bobrowicz FW., 1977, METHODS ELECT STRUCT
[5] LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
BROOKS, BR
LAIDIG, WD
SAXE, P
HANDY, NC
SCHAEFER, HF
[J]. PHYSICA SCRIPTA, 1980, 21 (3-4) : 312 - 322
[6] GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) : 5092 - 5106
[7] GENERALIZED BRILLOUIN THEOREM MULTICONFIGURATION METHOD FOR EXCITED-STATES
CHANG, TC
SCHWARZ, WHE
[J]. THEORETICA CHIMICA ACTA, 1977, 44 (01): : 45 - 59
[8] 2 BY 2 ROTATION METHOD APPLIED TO SELECTED MULTICONFIGURATION WAVEFUNCTIONS
CHANG, TC
GREIN, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) : 5270 - &
[9] OPTIMIZATION OF ORBITALS FOR MULTICONFIGURATIONAL REFERENCE STATES
DALGAARD, E
JORGENSEN, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (08) : 3833 - 3844
[10] QUADRATICALLY CONVERGENT REFERENCE STATE OPTIMIZATION PROCEDURE
DALGAARD, E
[J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (03) : 559 - 563

← 1 2 3 4 5 →