OPEN-SHELL SELF-CONSISTENT-FIELD THEORY

被引：10

作者：

ADAMS, WH ^{[1
]}

机构：

[1] RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 05期

关键词：

D O I：

10.1063/1.436829

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

页码：1924 / 1928

页数：5

共 50 条

[1] SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY
DAVIDSON, ER
CHEMICAL PHYSICS LETTERS, 1973, 21 (03) : 565 - 567
[2] RELATIVISTIC SELF-CONSISTENT-FIELD THEORY FOR OPEN-SHELL ATOMS .1.
LECLERCQ, JM
PHYSICAL REVIEW A, 1970, 1 (05): : 1358 - &
[3] PATHOLOGICAL BEHAVIOR OF THE OPEN-SHELL RESTRICTED SELF-CONSISTENT-FIELD EQUATIONS
MOSCARDO, F
ALVAREZCOLLADO, JR
PHYSICAL REVIEW A, 1979, 19 (02): : 463 - 468
[4] OPEN-SHELL SELF-CONSISTENT-FIELD MOLECULAR-ORBITAL THEORY FOR TRANSITION-METAL CLUSTERS
RICHARDSON, JW
SOULES, TF
VAUGHT, DM
POWELL, RR
PHYSICAL REVIEW B-SOLID STATE, 1971, 4 (06): : 1721 - +
[5] RELATIVISTIC SELF-CONSISTENT FIELD (RSCF) THEORY FOR OPEN-SHELL MOLECULES
MALLI, G
CHEMICAL PHYSICS LETTERS, 1980, 73 (03) : 510 - 513
[6] GRADIENT TECHNIQUES FOR OPEN-SHELL RESTRICTED HARTREE-FOCK AND MULTICONFIGURATION SELF-CONSISTENT-FIELD METHODS
GODDARD, JD
HANDY, NC
SCHAEFER, HF
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04): : 1525 - 1530
[7] ANALYTIC ENERGY 3RD DERIVATIVES FOR OPEN-SHELL SELF-CONSISTENT-FIELD WAVE-FUNCTIONS
GAW, JF
YAMAGUCHI, Y
REMINGTON, RB
OSAMURA, Y
SCHAEFER, HF
CHEMICAL PHYSICS, 1986, 109 (2-3) : 237 - 260
[8] RELATIVISTIC SELF-CONSISTENT-FIELD THEORY FOR CLOSED-SHELL ATOMS
KIM, YK
PHYSICAL REVIEW, 1967, 154 (01): : 17 - &
[9] Stress in self-consistent-field theory
Tyler, CA
Morse, DC
MACROMOLECULES, 2003, 36 (21) : 8184 - 8188
[10] SINGLE-FOCK-OPERATOR METHOD FOR MATRIX DIRAC-FOCK SELF-CONSISTENT-FIELD CALCULATIONS ON OPEN-SHELL ATOMS
KOC, K
ISHIKAWA, Y
PHYSICAL REVIEW A, 1994, 49 (02): : 794 - 798

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