GROUND-STATE DIPOLE POLARIZABILITY OF LITHIUM HYDRIDE - ACCURATE SCF AND CAS SCF CALCULATIONS

被引：41

作者：

KARLSTROM, G

ROOS, BO

SADLEJ, AJ

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 86卷 / 04期

关键词：

D O I：

10.1016/0009-2614(82)83526-4

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：374 / 379

页数：6

共 37 条

[1]

ADAMOWICZ L, 1981, J CHEM PHYS, V75, P2476

[2] ELECTRIC AND MAGNETIC PROPERTIES OF LIH MOLECULE ACCORDING TO HARTREE-FOCK PERTURBATION THEORY [J].

ARRIGHINI, GP ;

TOMASI, J ;

PETRONGO.C .

THEORETICA CHIMICA ACTA, 1970, 18 (04) :341-+

[3] THE DIPOLE-MOMENT OF 7LIH IN THE ELECTRONICALLY EXCITED A 1-SIGMA+ STATE [J].

BRIEGER, M ;

HESE, A ;

RENN, A ;

SODEIK, A .

CHEMICAL PHYSICS LETTERS, 1980, 76 (03) :465-468

[4] COUPLED HARTREE-FOCK HYPERPOLARIZABILITIES OF FH AND THE BASIS SET DEPENDENCY PROBLEM [J].

CHRISTIANSEN, PA ;

MCCULLOUGH, EA .

CHEMICAL PHYSICS LETTERS, 1979, 63 (03) :570-573

[5] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].

COHEN, HD ;

ROOTHAAN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+

[6] MEASUREMENT OF THE VIBRATIONAL-STATE DEPENDENCE OF THE LIH-A ALPHA-1-SIGMA+ DIPOLE-MOMENT [J].

DAGDIGIAN, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2049-2051

[7] PERTURBATION-THEORY OF THE ELECTRON CORRELATION-EFFECTS FOR ATOMIC AND MOLECULAR-PROPERTIES - 2ND-ORDER AND 3RD-ORDER CORRELATION CORRECTIONS TO MOLECULAR DIPOLE-MOMENTS AND POLARIZABILITIES [J].

DIERCKSEN, GHF ;

SADLEJ, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (03) :1253-1266

[8] LEGITIMATE CALCULATION OF 1ST-ORDER MOLECULAR-PROPERTIES IN THE CASE OF LIMITED CI FUNCTIONS - DIPOLE-MOMENTS [J].

DIERCKSEN, GHF ;

ROOS, BO ;

SADLEJ, AJ .

CHEMICAL PHYSICS, 1981, 59 (1-2) :29-39

[9] LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J].

DOCKEN, KK ;

HINZE, J .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4928-&

[10] LIH PROPERTIES, ROTATION-VIBRATIONAL ANALYSIS, AND TRANSITION MOMENTS FOR X1SIGMA+, A1SIGMA+, B1PI, 3SIGMA+, AND 3PI [J].

DOCKEN, KK ;

HINZE, J .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4936-&

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