HIGHER RPA AND 2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF COUPLING-CONSTANTS IN ACETYLENE

被引：26
作者：
GEERTSEN, J
ODDERSHEDE, J
机构：
来源：
CHEMICAL PHYSICS | 1986年 / 104卷 / 01期
关键词：
D O I：
10.1016/0301-0104(86)80154-9
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
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页码：67 / 72
页数：6
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共 24 条
[1]   ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE [J].
AMOS, RD .
MOLECULAR PHYSICS, 1979, 38 (01) :33-45
[2]  
DIERCKSEN GHF, MUNICH MOL PROGRAM S
[3]   GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].
DUNNING, TH .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+
[4]   APPLICATION OF THE EQUATIONS-OF-MOTION METHOD TO THE CALCULATION OF THE INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS [J].
GALASSO, V .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :899-904
[5]   CALCULATION OF THE DIAMAGNETIC SPIN-ORBIT CONTRIBUTION TO THE NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE [J].
GALASSO, V ;
LAZZERETTI, P ;
ROSSI, E ;
ZANASI, R .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1554-1556
[6]   2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE [J].
GEERTSEN, J ;
ODDERSHEDE, J .
CHEMICAL PHYSICS, 1984, 90 (03) :301-311
[7]   INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS [J].
GUEST, MF ;
SAUNDERS, VR ;
OVERILL, RE .
MOLECULAR PHYSICS, 1978, 35 (02) :427-443
[8]  
JORGENSEN P, 1981, 2ND QUANTIZATION BAS
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].
KRISHNAN, R ;
BINKLEY, JS ;
SEEGER, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654
[10]   FINITE PERTURBATION MCSCF AND CI CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS FOR SOME MOLECULES WITH MULTIPLE BONDS [J].
LAAKSONEN, A ;
KOWALEWSKI, J ;
SAUNDERS, VR .
CHEMICAL PHYSICS, 1983, 80 (03) :221-227
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