UNOCCUPIED NATURAL ORBITALS OF 2-ELECTRON WAVEFUNCTIONS

被引:3
作者
NAZAROFF, GV
机构
关键词
D O I
10.1063/1.1669784
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:4327 / &
相关论文
共 50 条
[21]   VARIATIONAL WAVEFUNCTIONS AND ENERGIES FOR L=2 AND L=3 STATES OF 2-ELECTRON ATOMS [J].
BROWN, RT ;
CORTEZ, JLM .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) :2657-&
[22]   RATIONAL ORBITALS FOR S-3 STATES OF 2-ELECTRON SYSTEMS [J].
BIRSS, FW ;
CHOI, JH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (03) :1280-1284
[23]   PRESENTATION OF WAVE-FUNCTION AS A PRODUCT OF SINGLE-ELECTRON AND 2-ELECTRON ORBITALS [J].
LYAST, IT ;
YUSIM, YM .
ZHURNAL STRUKTURNOI KHIMII, 1973, 14 (06) :1114-1116
[24]   EFFICIENT COMPUTING OF 2-ELECTRON INTEGRALS FOR GAUSSIAN D-TYPE ORBITALS [J].
BENARD, M .
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1976, 73 (04) :413-414
[25]   Pair 2-electron reduced density matrix theory using localized orbitals [J].
Head-Marsden, Kade ;
Mazziotti, David A. .
JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (08)
[26]   WAVEFUNCTIONS AND ORBITALS FOR H2O [J].
GUBERMAN, SL ;
GODDARD, WA .
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1969, 14 (01) :66-&
[28]   EVALUATION OF ONE-ELECTRON AND 2-ELECTRON MULTICENTER INTEGRALS OVER SLATER-TYPE ORBITALS [J].
GUSEINOV, II .
QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS, 1989, 62 :37-44
[29]   THE CALCULATION OF 2-ELECTRON PROPERTIES FROM MULTIPLE-SCATTERING X-ALPHA WAVEFUNCTIONS [J].
COOK, M ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1981, 84 (03) :565-570