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
收藏
页码：255 / 263
页数：9
相关论文
共 28 条
[1]   MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE [J].
AMOS, RD .
MOLECULAR PHYSICS, 1978, 35 (06) :1765-1775
[2]   ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE [J].
AMOS, RD .
MOLECULAR PHYSICS, 1979, 38 (01) :33-45
[3]   A CONFIGURATION-INTERACTION STUDY OF THE POLARIZABILITY DERIVATIVES OF CARBON-MONOXIDE [J].
AMOS, RD .
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 [J].
AMOS, RD .
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 [J].
BROOKS, BR ;
SCHAEFER, HF .
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 [J].
DUNNING, TH .
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 [J].
DUNNING, TH .
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
123