APPLICATIONS OF OPEN-SHELL COUPLED CLUSTER THEORY USING AN EIGENVALUE-INDEPENDENT PARTITIONING TECHNIQUE - APPROXIMATE INCLUSION OF TRIPLES IN IP CALCULATIONS

被引：78

作者：

CHAUDHURI, R

MUKHOPADHYAY, D

MUKHERJEE, D

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 162卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(89)87064-2

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：393 / 398

页数：6

共 50 条

[31] HIERARCHY EQUATIONS OF THE WAVE-OPERATOR FOR OPEN-SHELL SYSTEMS [J].

MUKHERJEE, D .

PRAMANA, 1979, 12 (03) :203-225

[32]

MUKHERJEE D, 1986, P INDIAN AS-CHEM SCI, V96, P145

[33]

MUKHERJEE D, 1989, ADV QUANTUM CHEM, V20

[34]

MUKHERJEE D, 1988, CONDENSED MATTER THE, V3

[35]

MUKHERJEE D, 1986, INT J QUANTUM CHEM S, V20, P409

[36] CALCULATION OF VERTICAL IONIZATION-POTENTIALS OF HYDROGEN-FLUORIDE BY PERTURBATION CORRECTIONS TO KOOPMANS THEOREM [J].

MUKHERJEE, PK ;

CHONG, DP .

CHEMICAL PHYSICS LETTERS, 1982, 86 (02) :190-194

[37] CLUSTER EXPANSION OF WAVEFUNCTION - PSEUDO-ORBITAL THEORY BASED ON SAC EXPANSION AND ITS APPLICATION TO SPIN-DENSITY OF OPEN-SHELL SYSTEMS [J].

NAKATSUJI, H ;

HIRAO, K .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09) :4279-4291

[38] DEGENERATE MANY FERMION THEORY IN EXPS FORM .1. GENERAL FORMALISM [J].

OFFERMANN, R ;

EY, W ;

KUMMEL, H .

NUCLEAR PHYSICS A, 1976, 273 (02) :349-367

[39] DEGENERATE MANY FERMION THEORY IN EXPS FORM .2. COMPARISON WITH PERTURBATION-THEORY [J].

OFFERMANN, R .

NUCLEAR PHYSICS A, 1976, 273 (02) :368-382

[40] MOLECULAR APPLICATIONS OF MULTIREFERENCE COUPLED-CLUSTER METHODS USING AN INCOMPLETE MODEL SPACE - DIRECT CALCULATION OF EXCITATION-ENERGIES [J].

PAL, S ;

RITTBY, M ;

BARTLETT, RJ ;

SINHA, D ;

MUKHERJEE, D .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4357-4366

← 1 2 3 4 5 →