STRUCTURE OF MOLECULAR LIQUIDS

被引：39

作者：

ALLEN, MP

MASON, CP

DEMIGUEL, E

STELZER, J

机构：

[1] UNIV SEVILLA, DEPT FIS ATOM MOLEC & NUCL, E-41080 SEVILLE, SPAIN

[2] UNIV STUTTGART, INST THEORET & ANGEW PHYS, D-70550 STUTTGART, GERMANY

来源：

PHYSICAL REVIEW E | 1995年 / 52卷 / 01期

关键词：

D O I：

10.1103/PhysRevE.52.R25

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We present a method for calculating, by computer simulation, the direct correlation function c(1,2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fundamental level, predictions of the structure of molecular liquids using density functional and integral equation approaches. As an example, we test some simple Ansatze for c(1,2) for prolate hard ellipsoids of revolution.

引用

页码：R25 / R28

页数：4

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[1]

Allen M. J., UNPUB

[2]

Allen M. P, 2007, ADV CHEM PHYS, P1, DOI DOI 10.1002/9780470141458.CH1

[3]

Allen MP., 1987, COMPUTER SIMULATION, DOI DOI 10.1093/OSO/9780198803195.001.0001

[4] FINITE-DENSITY ONSAGER-TYPE THEORY FOR THE ISOTROPIC-NEMATIC TRANSITION OF HARD ELLIPSOIDS [J].