MONTE-CARLO VARIATIONAL STUDY OF BE - A SURVEY OF CORRELATED WAVE-FUNCTIONS

被引：36

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 02期

关键词：

D O I：

10.1063/1.443098

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

页码：1064 / 1067

页数：4

共 27 条

[1] DETERMINATION OF ENERGIES AND WAVEFUNCTIONS WITH FULL ELECTRONIC CORRELATION [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :43-&

[2] A CONDITION TO REMOVE INDETERMINACY IN INTERELECTRONIC CORRELATION FUNCTIONS [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 309 (1497) :209-&

[3] A CALCULATION FOR ENERGIES AND WAVEFUNCTIONS FOR STATES OF NEON WITH FULL ELECTRONIC CORRELATION ACCURACY [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :63-&

[4] A FIRST SOLUTION, FOR LIH, OF A MOLECULAR TRANSCORRELATED WAVE EQUATION BY MEANS OF RESTRICTED NUMERICAL INTEGRATION [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 311 (1505) :309-&

[5]

BYRNE J, COMMUNICATION

[6] MONTE-CARLO SIMULATION OF A MANY-FERMION STUDY [J].

CEPERLEY, D ;

CHESTER, GV ;

KALOS, MH .

PHYSICAL REVIEW B, 1977, 16 (07) :3081-3099

[7]

Ceperley D. M., 1979, Monte Carlo methods in statistical physics, P145

[8] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[9] APPROXIMATE CALCULATION OF CORRELATION ENERGY FOR CLOSED SHELLS [J].

COLLE, R ;

SALVETTI, O .

THEORETICA CHIMICA ACTA, 1975, 37 (04) :329-334

[10]

CONNOLLY JWD, 1977, SEMIEMPIRICAL METHOD, V7

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