EWALD METHODS IN MOLECULAR-DYNAMICS FOR SYSTEMS OF FINITE EXTENT IN ONE OF 3 DIMENSIONS

被引：69

作者：

RHEE, YJ

HALLEY, JW

HAUTMAN, J

RAHMAN, A

机构：

来源：

PHYSICAL REVIEW B | 1989年 / 40卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.40.36

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：36 / 42

页数：7

共 17 条

[1] PROGRAMS FOR THE DYNAMIC SIMULATION OF LIQUIDS AND SOLIDS .2. MDIONS - RIGID IONS USING THE EWALD SUM [J].

ANASTASIOU, N ;

FINCHAM, D .

COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) :159-176

[2]

ANASTASIOU N, 1983, J CHEM SOC F2, V79, P1693

[3]

DELEEUW SW, 1986, ANNU REV PHYS CHEM, V37, P245, DOI 10.1146/annurev.pc.37.100186.001333

[4]

DELEEUW SW, 1983, P ROY SOC LOND A MAT, V388, P177, DOI 10.1098/rspa.1983.0077

[5] SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS 2. EQUIVALENCE OF BOUNDARY-CONDITIONS [J].

DELEEUW, SW ;

PERRAM, JW ;

SMITH, ER .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752) :57-66

[6] SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS .1. LATTICE SUMS AND DIELECTRIC-CONSTANTS [J].

DELEEUW, SW ;

PERRAM, JW ;

SMITH, ER .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752) :27-56

[7] PROGRAMS FOR THE DYNAMIC SIMULATION OF LIQUIDS AND SOLIDS .2. MDIONS - RIGID IONS USING THE EWALD SUM (VECTORIZED VERSION ON THE CRAY-1) [J].

FINCHAM, D .

COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) :177-179

[8]

HAUTMAN J, IN PRESS J CHEM PHYS

[9] MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF SURFACE PROPERTIES OF CRYSTALLINE POTASSIUM-CHLORIDE [J].

HEYES, DM ;

BARBER, M ;

CLARKE, JHR .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1977, 73 :1485-1496

[10] THE ELECTROSTATIC POTENTIAL AND FIELD IN THE SURFACE REGION OF LAMINA AND SEMI-INFINITE POINT-CHARGE LATTICES [J].

HEYES, DM ;

VANSWOL, F .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10) :5051-5058

← 1 2 →