PERTURBATION-THEORY OF THE ELECTRON CORRELATION-EFFECTS FOR ATOMIC AND MOLECULAR-PROPERTIES .6. COMPLETE ACTIVE SPACE (CAS) SCF AND MBPT CALCULATIONS OF ELECTRIC PROPERTIES OF THE FH MOLECULE

被引：27
作者：
DIERCKSEN, GHF [1 ]
KELLO, V [1 ]
ROOS, BO [1 ]
SADLEJ, AJ [1 ]
机构：
[1] UNIV LUND,CTR CHEM,S-22007 LUND 7,SWEDEN
来源：
CHEMICAL PHYSICS | 1983年 / 77卷 / 01期
关键词：
D O I：
10.1016/0301-0104(83)85067-8
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：93 / 101
页数：9
相关论文
共 74 条
[1]   2ND-ORDER CORRELATION CORRECTION TO COUPLED HARTREE-FOCK POLARIZABILITY OF BE [J].
ADAMOWICZ, L ;
SADLEJ, AJ .
CHEMICAL PHYSICS LETTERS, 1978, 53 (02) :377-381
[2]   MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE [J].
AMOS, RD .
MOLECULAR PHYSICS, 1978, 35 (06) :1765-1775
[3]   MULTIPOLE MOMENTS AND POLARIZABILITIES OF HYDROGEN-FLUORIDE - A COMPARISON OF CONFIGURATION-INTERACTION AND PERTURBATION-THEORY METHODS [J].
AMOS, RD .
CHEMICAL PHYSICS LETTERS, 1982, 88 (01) :89-94
[4]   CORRECTIONS TO MOLECULAR ONE-ELECTRON PROPERTIES USING MOLLER-PLESSET PERTURBATION-THEORY [J].
AMOS, RD .
CHEMICAL PHYSICS LETTERS, 1980, 73 (03) :602-606
[5]   MOLECULAR HYPERPOLARIZABILITIES .1. THEORETICAL CALCULATIONS INCLUDING CORRELATION [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICAL REVIEW A, 1979, 20 (04) :1313-1322
[6]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[7]   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
[8]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[9]  
BARTLETT RJ, 1977, INT J QUANTUM CHEM S, V11, P165
[10]   COUPLED MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD METHOD FOR ATOMIC DIPOLE POLARIZABILITIES .1. THEORY AND APPLICATION TO CARBON [J].
BILLINGSLEY, FP ;
KRAUSS, M .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1972, 6 (03) :855-+
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