TREATMENT OF RIGID BODIES BY DIFFUSION MONTE-CARLO - APPLICATION TO THE PARA-H2...H2O AND ORTHO-H2...H2O CLUSTERS

被引：184

作者：

BUCH, V

机构：

[1] Department of Chemistry, University of Illinois at Chicago, Box 4348, Chicago

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 97卷 / 01期

关键词：

D O I：

10.1063/1.463572

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：

[No abstract available]

引用

页码：726 / 729

页数：4

共 13 条

[1] QUANTUM CHEMISTRY BY RANDOM-WALK - H2P,H+3D3H1A'1,H-23-SIGMA+U,H-41-SIGMA+G,BE1S [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :4121-4127

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

ANDERSON, JB .

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

[3] A THEORETICAL-STUDY OF THE STRUCTURE, BONDING, AND VIBRATIONAL FREQUENCY-SHIFTS OF THE H2-HF COMPLEX [J].

BERNHOLDT, DE ;

LIU, SY ;

DYKSTRA, CE .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :5120-5127

[4] QUANTUM SIMULATION OF SYSTEMS WITH NODAL SURFACES [J].

COKER, DF ;

WATTS, RO .

MOLECULAR PHYSICS, 1986, 58 (06) :1113-1123

[5]

Dale Favro L., 1965, FLUCTUATION PHENOMEN

[6]

HIXON HG, IN PRESS J CHEM PHYS

[7] VANDERWAALS COMPLEXES BETWEEN LEWIS-BASES AND MOLECULAR-HYDROGEN IN ARGON MATRICES [J].

MOROZ, A ;

SWEANY, RL ;

WHITTENBURG, SL .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (04) :1352-1357

[8] INFRARED-SPECTRA OF THE SOLVATED HYDRONIUM ION - VIBRATIONAL PREDISSOCIATION SPECTROSCOPY OF MASS-SELECTED H3O+.(H2O)N.(H2)M [J].

OKUMURA, M ;

YEH, LI ;

MYERS, JD ;

LEE, YT .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (09) :3416-3427

[9] PROBING ICY SURFACES WITH THE DANGLING-OH-MODE ABSORPTION - LARGE ICE CLUSTERS AND MICROPOROUS AMORPHOUS ICE [J].

ROWLAND, B ;

FISHER, M ;

DEVLIN, JP .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (02) :1378-1384

[10] QUANTUM MONTE-CARLO STUDIES OF VIBRATIONAL-STATES IN MOLECULES AND CLUSTERS [J].

SUHM, MA ;

WATTS, RO .

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1991, 204 (04) :293-329

← 1 2 →