PROPERTY EVALUATION AND ORBITAL RELAXATION IN COUPLED CLUSTER-METHODS

被引:166
作者
SALTER, EA
SEKINO, H
BARTLETT, RJ
机构
[1] UNIV FLORIDA, DEPT CHEM, QUANTUM THEORY PROJECT, GAINESVILLE, FL 32611 USA
[2] UNIV FLORIDA, DEPT PHYS, GAINESVILLE, FL 32611 USA
关键词
D O I
10.1063/1.453596
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
收藏
页码:502 / 509
页数:8
相关论文
共 31 条
[2]   MOLECULAR HYPERPOLARIZABILITIES .1. THEORETICAL CALCULATIONS INCLUDING CORRELATION [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICAL REVIEW A, 1979, 20 (04) :1313-1322
[3]  
BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[4]   PERTURBED HARTREE-FOCK THEORY .I. DIAGRAMMATIC DOUBLE-PERTURBATION ANALYSIS [J].
CAVES, TC ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (09) :3649-&
[5]   MEASUREMENTS OF 2ND-ORDER AND 3RD-ORDER NONLINEAR POLARIZABILITIES FOR HF AND HCL [J].
DUDLEY, JW ;
WARD, JF .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (10) :4673-4677
[7]   ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].
FESSENDEN, RW ;
SCHULER, RH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&
[9]   FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARIZABILITIES .2. THEORETICAL-ANALYSIS OF CORRELATION CORRECTIONS WITH APPLICATION TO SOME PSEUDO-2-ELECTRON SYSTEMS [J].
GREADY, JE ;
BACSKAY, GB ;
HUSH, NS .
CHEMICAL PHYSICS, 1977, 23 (01) :9-22
[10]  
HELGAKER TU, 1986, GEOMETRICAL DERIVATI