| All-electron path integral monte carlo simulations of warm dense matter: application to water and carbon plasmas. | |
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MedLine Citation:
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PMID: 22540485 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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We develop an all-electron path integral Monte Carlo method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend path integral Monte Carlo studies beyond hydrogen and helium to elements with core electrons. Path integral Monte Carlo results for pressures, internal energies, and pair-correlation functions compare well with density functional theory molecular dynamics calculations at temperatures of (2.5-7.5)×10^{5} K, and both methods together form a coherent equation of state over a density-temperature range of 3-12 g/cm^{3} and 10^{4}-10^{9} K. |
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Authors:
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K P Driver; B Militzer |
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Publication Detail:
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Type: Journal Article Date: 2012-03-16 |
Journal Detail:
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Title: Physical review letters Volume: 108 ISSN: 1079-7114 ISO Abbreviation: Phys. Rev. Lett. Publication Date: 2012 Mar |
Date Detail:
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Created Date: 2012-04-30 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0401141 Medline TA: Phys Rev Lett Country: United States |
Other Details:
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Languages: eng Pagination: 115502 Citation Subset: IM |
Affiliation:
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Department of Earth and Planetary Science, University of California, Berkeley, California 94720, USA. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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