STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .12. STRUCTURE OF LIQUID WATER OBTAINED BY MONTE-CARLO SIMULATION WITH HARTREE-FOCK POTENTIAL CORRECTED BY INCLUSION OF DISPERSION FORCES

被引：112

作者：

LIE, GC ^{[1
]}

CLEMENTI, E ^{[1
]}

机构：

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 06期

关键词：

D O I：

10.1063/1.430787

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：2195 / 2199

页数：5

共 10 条

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[4] 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 [J].

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[7] LIQUID WATER - ATOM PAIR CORRELATION-FUNCTIONS FROM NEUTRON AND X-RAY-DIFFRACTION [J].

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[8] LIQUID WATER - MOLECULAR CORRELATION FUNCTIONS FROM X-RAY DIFFRACTION [J].

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[9] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE [J].

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[10] IMPROVED SIMULATION OF LIQUID WATER BY MOLECULAR-DYNAMICS [J].

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