Molecular dynamics simulations of dense plasmas

Details Molecular dynamics simulations of dense plasmas Molecular dynamics simulations of dense plasmas

Feb 1994

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994jqsrt..51...65c&link_type=abstract

Journal of Quantitative Spectroscopy & Radiative Transfer (ISSN 0022-4073), vol. 51, no. 1-2, p. 65-75

Computer Science

5

Computerized Simulation, Dense Plasmas, Equations Of Motion, Molecules, Plasma Dynamics, Quantum Chemistry, Quantum Mechanics, Energy Levels, Hydrogen, Liquid Sodium

Scientific paper

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 mechanicallly. 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.

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