STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .7. EFFECT OF CORRELATION ENERGY CORRECTIONS TO HARTREE-FOCK WATER-WATER POTENTIAL ON MONTE-CARLO SIMULATIONS OF LIQUID WATER

被引：112

作者：

KISTENMACHER, H

POPKIE, H

CLEMENTI, E

WATTS, RO

机构：

[1] IBM CORP, RES LAB, SAN JOSE, CA 95193 USA

[2] AUSTRALIAN NATL UNIV, COMP CTR, CANBERRA, AUSTRALIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 11期

关键词：

D O I：

10.1063/1.1680923

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

收藏

页码：4455 / 4465

页数：11

相关论文

共 25 条

[1] Structure of water; A Monte Carlo calculation
Barker, J. A.
Watts, R. O.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (03) : 144 - 145
[2] SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) : 33 - &
[3] CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) : 2248 - &
[4] CORRELATION ENERGY FOR ATOMIC SYSTEMS .2. ISOELECTRONIC SERIES WITH 11 TO 18 ELECTRONS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) : 175 - &
[5] CORRELATION ENERGY IN ATOMIC SYSTEMS .3. CONFIGURATIONS WITH 3D AND 4S ELECTRONS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (08) : 2783 - &
[6] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL
CLEMENTI, E
POPKIE, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) : 4870 - &
[7] CORRELATION ENERGY IN ATOMIC SYSTEMS .4. DEGENERACY EFFECTS
CLEMENTI, E
VEILLARD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) : 3050 - &
[8] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
CLEMENTI, E
POPKIE, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) : 1077 - &
[9] CLEMENTI E, 1970, CHEMISTRY CYANO GROU, pCH1
[10] CLEMENTI E, 1971, PHYSICS ELECTRONIC A