CONTRACTED GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .1. 2ND ROW ATOMS, Z=11-18

被引:9202
作者
MCLEAN, AD [1 ]
CHANDLER, GS [1 ]
机构
[1] UNIV WESTERN AUSTRALIA,SCH CHEM,NEDLANDS,WA 6009,AUSTRALIA
关键词
D O I
10.1063/1.438980
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:5639 / 5648
页数:10
相关论文
共 7 条
[1]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[2]   Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms [J].
Dunning, T. H., Jr. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (04) :423-427
[3]  
DUNNING TH, 1977, METHODS ELECTRONIC S
[4]  
HUZINAGA S, 1971, APPROXIMATE ATOMIC F, P44106
[5]   ACCURATE CALCULATION OF ATTRACTIVE INTERACTION OF TWO GROUND-STATE HELIUM-ATOMS [J].
LIU, B ;
MCLEAN, AD .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :4557-4558
[6]  
RAFFENET.RC, 1973, J CHEM PHYS, V58, P4452, DOI 10.1063/1.1679007
[7]   GROUND STATE SELF-CONSISTENT-FIELD WAVE FUNCTIONS AND MOLECULAR PROPERTIES FOR ISOELECTRONIC SERIES SIH4, PH3, H2S, AND HCL [J].
ROTHENBE.S ;
YOUNG, RH ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (11) :3243-+