MOLECULAR-DYNAMICS SIMULATIONS OF DENSE-PLASMAS

被引：6

作者：

COLLINS, LA

KRESS, JD

LYNCH, DL

TROULLIER, N

机构：

[1] THINKING MACHINES CORP, CAMBRIDGE, MA 02142 USA

[2] UNIV MINNESOTA, DEPT COMP SCI, MINNEAPOLIS, MN 55455 USA

[3] UNIV MINNESOTA, DEPT CHEM ENGN, MINNEAPOLIS, MN 55455 USA

来源：

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 1994年 / 51卷 / 1-2期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0022-4073(94)90066-3

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We have developed a method for modeling a hot, dense, ionized medium through a molecular dynamics simulation for a large collection of atoms. The nuclei are moved according to the classical equations of motion while the forces are determined quantum mechanically. We employ three quantum mechanical approaches: density-functional, extended Huckel, and tight-binding. We present results for liquid sodium and for hydrogen at high compressions and intermediate temperatures.

引用

页码：65 / 75

页数：11

共 67 条

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