MONTE-CARLO CALCULATION OF INTERACTION ENERGIES FOR VANDERWAALS COMPLEXES

被引：5

作者：

TAWA, GJ

WHITLOCK, P

SCHMIDT, KE

MOSKOWITZ, JW

机构：

[1] CUNY BROOKLYN COLL,DEPT COMP & INFORMAT SCI,BROOKLYN,NY 11210

[2] ARIZONA STATE UNIV,DEPT PHYS,TEMPE,AZ 85287

[3] NYU,DEPT CHEM,NEW YORK,NY 10003

来源：

MOLECULAR PHYSICS | 1992年 / 77卷 / 03期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1080/00268979200102561

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：

The electronic structure Schrodinger equation is solved approximately to obtain the interaction energies for the van der Waals complexes of spin-polarized H-2 and H-3 and the closed shell systems of He-2 and He-3. Both two- and three-body components of the interaction energies are reported. The interaction energies are obtained through variational and Green's function Monte Carlo calculations using optimized wavefunctions that properly correlate the electrons.

引用

页码：477 / 489

页数：13

共 50 条

[41] MONTE-CARLO PARTICLE-TRANSPORT TO GEV ENERGIES
PRAEL, RE
TRANSACTIONS OF THE AMERICAN NUCLEAR SOCIETY, 1982, 41 : 480 - 481
[42] MONTE-CARLO CALCULATION OF INITIAL ENERGIES OF COMPTON ELECTRONS AND PHOTOELECTRONS IN WATER IRRADIATED BY PHOTONS WITH ENERGIES UP TO 2 MEV
TURNER, JE
HAMM, RN
WRIGHT, HA
MODOLO, JT
SORDI, GMAA
HEALTH PHYSICS, 1980, 39 (01): : 49 - 55
[43] LOCAL-STATES METHOD FOR THE CALCULATION OF FREE-ENERGIES IN MONTE-CARLO SIMULATIONS OF LATTICE MODELS
SCHLIJPER, AG
VANBERGEN, ARD
SMIT, B
PHYSICAL REVIEW A, 1990, 41 (02): : 1175 - 1178
[44] MONTE-CARLO CALCULATION OF COMPRESSIBILITY FACTORS AND INTERNAL ENERGIES OF LENNARD-JONES BINARY-MIXTURES
MIYANO, Y
JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 1989, 22 (06) : 706 - 708
[45] TWIN-BOUNDARY ENERGIES AND ENTROPIES IN SIMPLE METALS - A CONSTANT-PRESSURE MONTE-CARLO CALCULATION
SHIH, WY
HIRTH, JP
STROUD, D
PHYSICAL REVIEW B, 1986, 34 (04): : 2895 - 2898
[46] MONTE-CARLO METHOD FOR CALCULATION OF DISTRIBUTION OF IONIZATION LOSSES
ISPIRIAN, KA
MARGARIAN, AT
ZVEREV, AM
NUCLEAR INSTRUMENTS & METHODS, 1974, 117 (01): : 125 - 129
[47] MONTE-CARLO CALCULATION OF DIRECT MODERATOR HEATING FOR BWRS
NASER, JA
SEHGAL, BR
TRANSACTIONS OF THE AMERICAN NUCLEAR SOCIETY, 1980, 34 (JUN): : 485 - 486
[48] MONTE-CARLO CALCULATION OF DANCOFF FACTORS IN IRREGULAR GEOMETRIES
FEHER, S
HOOGENBOOM, JE
DELEEGE, PFA
VALKO, J
NUCLEAR SCIENCE AND ENGINEERING, 1994, 117 (04) : 227 - 238
[49] A MONTE-CARLO CALCULATION OF THE PRODUCTION SPECTRUM OF MESONS IN JETS
MARCU, M
SPIRCHEZ, M
NUCLEAR PHYSICS, 1960, 21 (03): : 526 - 527
[50] MONTE-CARLO CALCULATION OF CRITICAL MASS AND SIZE IN MICROFISSION
BAIRD, GE
RASPET, R
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1975, 20 (04): : 668 - 668

← 1 2 3 4 5 →