AB-INITIO SCF AND CL STUDIES ON GROUND-STATE OF WATER MOLECULE .1. COMPARISON OF CGTO AND STO BASIS SETS NEAR HARTREE-FOCK LIMIT

被引:42
作者
ROSENBERG, BJ
SHAVITT, I
机构
[1] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
[2] BATTELLE MEM INST, COLUMBUS, OH 43201 USA
关键词
D O I
10.1063/1.431596
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:2162 / 2174
页数:13
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