THE CALCULATION OF 2ND-ORDER MOLECULAR-PROPERTIES AT THE CONFIGURATION-INTERACTION LEVEL OF ACCURACY

被引：31

作者：

DABORN, GT

FERGUSON, WI

HANDY, NC

机构：

来源：

CHEMICAL PHYSICS | 1980年 / 50卷 / 02期

关键词：

D O I：

10.1016/0301-0104(80)87043-1

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：255 / 263

页数：9

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共 28 条

[1] MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE
AMOS, RD
[J]. MOLECULAR PHYSICS, 1978, 35 (06) : 1765 - 1775
[2] ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE
AMOS, RD
[J]. MOLECULAR PHYSICS, 1979, 38 (01) : 33 - 45
[3] A CONFIGURATION-INTERACTION STUDY OF THE POLARIZABILITY DERIVATIVES OF CARBON-MONOXIDE
AMOS, RD
[J]. CHEMICAL PHYSICS LETTERS, 1980, 70 (03) : 613 - 617
[4] SCF AND CI CALCULATIONS OF THE ONE-ELECTRON PROPERTIES, POLARIZABILITIES AND POLARIZABILITY DERIVATIVES OF THE NITROGEN MOLECULE
AMOS, RD
[J]. MOLECULAR PHYSICS, 1980, 39 (01) : 1 - 14
[5] Bobrowicz F.W., 1977, MODERN THEORETICAL C, V3
[6] GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) : 5092 - 5106
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08) : 3958 - &
[9] DUNNING TH, 1977, METHODS ELECTRONIC S, V3
[10] FERGUSON WI, 1980, THEORET CHIM ACTA, V53, P345