FINITE-FIELD CALCULATIONS OF MOLECULAR POLARIZABILITIES USING FIELD-INDUCED POLARIZATION FUNCTIONS .2. 2ND-ORDER AND 3RD-ORDER PERTURBATION CORRELATION CORRECTIONS TO THE COUPLED HARTREE-FOCK POLARIZABILITY OF HF

被引：25

作者：

MUKHERJEE, PK ^{[1
]}

MINATO, T ^{[1
]}

CHONG, DP ^{[1
]}

机构：

[1] UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER V6T 1Y6, BC, CANADA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 02期

关键词：

D O I：

10.1002/qua.560230213

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：447 / 457

页数：11

共 83 条

[1] FEENBERG-GOLDHAMMER PROCEDURE AND GEOMETRIC APPROXIMATION IN HARTREE-FOCK PERTURBATION THEORY [J].

AMOS, AT .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :603-&

[2] MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE [J].

AMOS, RD .

MOLECULAR PHYSICS, 1978, 35 (06) :1765-1775

[3] ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE [J].

AMOS, RD .

MOLECULAR PHYSICS, 1979, 38 (01) :33-45

[4] CORRECTIONS TO MOLECULAR ONE-ELECTRON PROPERTIES USING MOLLER-PLESSET PERTURBATION-THEORY [J].

AMOS, RD .

CHEMICAL PHYSICS LETTERS, 1980, 73 (03) :602-606

[5] ACCURATE SCF CALCULATIONS OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF ACETYLENE, ETHYLENE AND ETHANE [J].

AMOS, RD ;

WILLIAMS, JH .

CHEMICAL PHYSICS LETTERS, 1979, 66 (03) :471-474

[6] SCF MOS AND MOLECULAR PROPERTIES OF H2O [J].

ARRIGHINI, GP ;

GUIDOTTI, C ;

SALVETTI, O .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) :1037-+

[7]

ATKINS PW, 1970, MOL QUANTUM MECHANIC

[8] MOLECULAR HYPERPOLARIZABILITIES .1. THEORETICAL CALCULATIONS INCLUDING CORRELATION [J].

BARTLETT, RJ ;

PURVIS, GD .

PHYSICAL REVIEW A, 1979, 20 (04) :1313-1322

[9] MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].

BARTLETT, RJ ;

PURVIS, GD .

PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265

[10] STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].

BENDER, CF ;

DAVIDSON, ER .

PHYSICAL REVIEW, 1969, 183 (01) :23-&

← 1 2 3 4 5 6 7 8 9 →