A NEW LOOK AT CORRELATION-ENERGY IN ATOMIC AND MOLECULAR-SYSTEMS .2. THE APPLICATION OF THE GREEN-FUNCTION MONTE-CARLO METHOD TO LIH

被引:191
作者
MOSKOWITZ, JW [1 ]
SCHMIDT, KE [1 ]
LEE, MA [1 ]
KALOS, MH [1 ]
机构
[1] NYU,COURANT INST MATH SCI,NEW YORK,NY 10012
关键词
D O I
10.1063/1.443612
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
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页码:349 / 355
页数:7
相关论文
共 23 条
[1]   RANDOM-WALK SIMULATION OF SCHRODINGER EQUATION - H+3 [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) :1499-1503
[2]   NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&
[3]  
Bobrowicz F.W., 1977, MODERN THEORETICAL C, V3
[4]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[5]   ELECTRIC DIPOLE MOMENT FOR FIRST- AND 2ND-ROW DIATOMIC HYDRIDE MOLECULES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :1063-&
[6]  
CEPERLEY DM, COMMUNICATION
[7]  
CEPERLEY DM, 1979, MONTE CARLO METHODS, pCH4
[8]   HYLLERAAS-TYPE WAVEFUNCTION FOR LITHIUM HYDRIDE [J].
CLARY, DC ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1977, 51 (03) :483-486
[9]   LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4928-&
[10]  
Gaydon A. G., 1953, DISSOCIATION ENERGIE