THE SHAPE-DRIVEN GRAPHICAL UNITARY-GROUP APPROACH TO THE ELECTRON CORRELATION-PROBLEM - APPLICATION TO THE ETHYLENE MOLECULE

被引：269
作者：
SAXE, P
FOX, DJ
SCHAEFER, HF
HANDY, NC
机构：
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
[2] UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
来源：
JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 11期
关键词：
D O I：
10.1063/1.443765
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：5584 / 5592
页数：9
相关论文
共 58 条
[1]  
AHLRICHS R, 1975, J CHEM PHYS, V63, P4685, DOI 10.1063/1.431254
[2]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[3]   ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[5]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[6]   N(1AG), T(3B1U), AND V(1B1U) STATES OF VERTICAL ETHYLENE [J].
BROOKS, BR ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (11) :4839-4847
[7]   LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J].
BROOKS, BR ;
LAIDIG, WD ;
SAXE, P ;
HANDY, NC ;
SCHAEFER, HF .
PHYSICA SCRIPTA, 1980, 21 (3-4) :312-322
[8]   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
[9]  
BROOKS BR, 1981, UNITARY GROUP EVALUA, V22, P158
[10]  
BUENKER RJ, 1980, QUANTUM CHEM 1980S
123456