ANALYTIC ENERGY GRADIENTS FOR GENERAL COUPLED-CLUSTER METHODS AND 4TH-ORDER MANY-BODY PERTURBATION-THEORY

被引：90

作者：

FITZGERALD, G

HARRISON, RJ

BARTLETT, RJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 09期

关键词：

D O I：

10.1063/1.451823

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：5143 / 5150

页数：8

共 50 条

[1] HARMONIC VIBRATIONAL FREQUENCIES AND INFRARED INTENSITIES FROM ANALYTIC 4TH-ORDER MANY-BODY PERTURBATION-THEORY GRADIENTS
STANTON, JF
WATTS, JD
BARTLETT, RJ
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (01): : 404 - 413
[2] 5TH-ORDER MANY-BODY PERTURBATION-THEORY AND ITS RELATIONSHIP TO VARIOUS COUPLED-CLUSTER APPROACHES
KUCHARSKI, SA
BARTLETT, RJ
ADVANCES IN QUANTUM CHEMISTRY, 1986, 18 : 281 - 344
[3] THE STRUCTURE OF HSSI+ AS DETERMINED BY 4TH-ORDER MANY-BODY PERTURBATION-THEORY
LIMA, EG
CANUTO, S
CHEMICAL PHYSICS LETTERS, 1988, 144 (04) : 362 - 365
[4] PROPERTIES OF THE BCL MOLECULAR STUDIED BY 4TH-ORDER MANY-BODY PERTURBATION-THEORY
MULLERPLATHE, F
DIERCKSEN, GHF
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, : 595 - 602
[5] ELECTRIC-DIPOLE HYPERPOLARIZABILITY AND QUADRUPOLE POLARIZABILITY OF METHANE FROM FINITE-FIELD COUPLED-CLUSTER AND 4TH-ORDER MANY-BODY PERTURBATION-THEORY CALCULATIONS
MAROULIS, G
CHEMICAL PHYSICS LETTERS, 1994, 226 (3-4) : 420 - 426
[6] COUPLED-CLUSTER APPROACH TO THE MANY-BODY PERTURBATION-THEORY FOR OPEN-SHELL SYSTEMS
LINDGREN, I
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 12 : 33 - 58
[7] MANY-BODY PERTURBATION-THEORY FOR OPEN-SHELL SYSTEMS - EXPANSION THROUGH 4TH-ORDER
WILSON, S
THEORETICA CHIMICA ACTA, 1982, 61 (04): : 343 - 361
[8] QUADRUPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES OF KR AND XE FROM 4TH-ORDER MANY-BODY PERTURBATION-THEORY CALCULATIONS
MAROULIS, G
THAKKAR, AJ
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (12): : 7320 - 7323
[9] 4TH-ORDER MANY-BODY PERTURBATION-THEORY STUDY OF THE ELECTRON-CORRELATION CONTRIBUTION TO POLARIZABILITIES OF NE
CERNUSAK, I
DIERCKSEN, GHF
SADLEJ, AJ
PHYSICAL REVIEW A, 1986, 33 (02): : 814 - 823
[10] A MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER STUDY OF THE WATER DIMER
HARRISON, RJ
BARTLETT, RJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, : 437 - 443

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