APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES

被引:77
作者
BACHRACH, SM
CHILES, RA
DYKSTRA, CE
机构
关键词
D O I
10.1063/1.442288
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 ;
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页码:2270 / 2275
页数:6
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共 42 条
[1]   ORTHOGONALLY-SPIN-ADAPTED COUPLED-CLUSTER THEORY FOR CLOSED-SHELL SYSTEMS INCLUDING TRI-EXCITED CLUSTERS [J].
ADAMS, BG ;
PALDUS, J .
PHYSICAL REVIEW A, 1979, 20 (01) :1-17
[2]   QUASI-DEGENERACY AND COUPLED-PAIR THEORIES [J].
ADAMS, BG ;
JANKOWSKI, K ;
PALDUS, J .
CHEMICAL PHYSICS LETTERS, 1979, 67 (01) :144-148
[3]   PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES [J].
AHLRICHS, R ;
LISCHKA, H ;
STAEMMLER, V ;
KUTZELNIGG, W .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234
[4]   MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].
BARTLETT, RJ ;
PURVIS, GD .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581
[5]  
BARTLETT RJ, 1977, INT J QUANTUM CHEM, P165
[6]  
BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069
[7]  
BERNSTEIN RB, 1965, DISCUSS FARADAY SOC, V40, P58
[8]   NE-H-H POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION [J].
BIRKS, JW ;
JOHNSTON, HS ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1741-1747
[9]   VIBRATIONAL LEVELS OF HETERONUCLEAR RARE-GAS VAN DER WAALS MOLECULES [J].
BOBETIC, MV ;
BARKER, JA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2367-2369
[10]   ATTRACTIVE WELL OF HE-HE FROM HE-3-HE-4 DIFFERENTIAL ELASTIC-SCATTERING MEASUREMENTS [J].
BURGMANS, ALJ ;
FARRAR, JM ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1345-1350