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First Principle Thermodynamic and Dynamic Simulations for Dense Quantum Plasmas
Author(s) -
Bonitz M.,
Filinov A.,
Golubnychiy V. O.,
Bornath Th.,
Kraeft W. D.
Publication year - 2005
Publication title -
contributions to plasma physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.531
H-Index - 47
eISSN - 1521-3986
pISSN - 0863-1042
DOI - 10.1002/ctpp.200510051
Subject(s) - physics , degeneracy (biology) , coupling (piping) , warm dense matter , molecular dynamics , path integral formulation , quantum monte carlo , plasma , monte carlo method , quantum , ionization , path integral monte carlo , spin (aerodynamics) , statistical physics , quantum mechanics , thermodynamics , materials science , ion , bioinformatics , statistics , mathematics , metallurgy , biology
Abstract We present a detailed analysis of temperature‐dependent effective quantum pair potentials. These potentials are derived from first‐principle path integral Monte Carlo simulations and are accurate even at strong coupling and partial ionization. They can be efficiently used in molecular‐dynamics (MD) simulations to obtain accurate thermodynamic and dynamic properties of strongly coupled hydrogen down to the temperatures of about 60 000 K. Furthermore, using spin‐dependent pair potentials, dynamic structure factors and spin‐density correlation functions were calculated for different values of coupling and degeneracy. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)