THE SOLUTION OF THE SCHRODINGER-EQUATION IN IMAGINARY TIME BY GREENS-FUNCTION MONTE-CARLO - THE RIGOROUS SAMPLING OF THE ATTRACTIVE COULOMB SINGULARITY

被引：14

作者：

SKINNER, DW

MOSKOWITZ, JW

LEE, MA

WHITLOCK, PA

SCHMIDT, KE

机构：

[1] KENT STATE UNIV,DEPT PHYS,KENT,OH 44242

[2] NYU,COURANT INST MATH SCI,NEW YORK,NY 10012

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 09期

关键词：

D O I：

10.1063/1.449038

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：4668 / 4672

页数：5

共 12 条

[1] RANDOM-WALK SIMULATION OF SCHRODINGER EQUATION - H+3 [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) :1499-1503

[2] THE SIMULATION OF QUANTUM-SYSTEMS WITH RANDOM-WALKS - A NEW ALGORITHM FOR CHARGED SYSTEMS [J].

CEPERLEY, D .

JOURNAL OF COMPUTATIONAL PHYSICS, 1983, 51 (03) :404-422

[3]

CEPERLEY DM, 1979, MONTE CARLO METHODS, pCH4

[4] LOGARITHMIC TERMS IN WAVE FUNCTIONS OF GROUND STATE OF 2-ELECTRON ATOMS [J].

FRANKOWSKI, K ;

PEKERIS, CL .

PHYSICAL REVIEW, 1966, 146 (01) :46-+

[5] EFFECT ON THE ENERGY OF INCREASED FLEXIBILITY IN THE SEPARABLE FACTOR OF HYLLERAAS-TYPE ATOMIC WAVE FUNCTIONS FROM H- TO O-VII [J].

GREEN, LC ;

MATSUSHIMA, S ;

STEPHENS, C ;

KOLCHIN, EK ;

KOHLER, MM ;

WANG, Y ;

BALDWIN, BB ;

WISNER, RJ .

PHYSICAL REVIEW, 1958, 112 (04) :1187-1191

[6]

KALOS M, 1967, J COMP PHYS, V1, P257

[7] HELIUM AT ZERO TEMPERATURE WITH HARD-SPHERE AND OTHER FORCES [J].

KALOS, MH ;

LEVESQUE, D ;

VERLET, L .

PHYSICAL REVIEW A, 1974, 9 (05) :2178-2195

[8] QUANTUM-CHEMISTRY BY RANDOM-WALK - IMPORTANCE SAMPLING FOR H-3+ [J].

MENTCH, F ;

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (11) :6307-6311

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

MOSKOWITZ, JW ;

SCHMIDT, KE ;

LEE, MA ;

KALOS, MH .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01) :349-355

[10]

MOSKOWITZ JW, 1984, P NATO ADV RES WORKS

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