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Journal of Applied Physics

Volumn 109, Issue 7, 2011, Pages

First principles calculation of finite temperature magnetism in Fe and Fe3C

(4) Eisenbach, M a Nicholson, D M a Rusanu, A a Brown, G a

a OAK RIDGE NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL POWER; DENSITY-FUNCTIONAL CALCULATIONS; EMPIRICAL MODEL; ENERGY CALCULATION; FINITE TEMPERATURES; FINITE-TEMPERATURE MAGNETISM; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GROUND STATE PROPERTIES; HIGH PERFORMANCE COMPUTING; MAGNETIC STATE; MASSIVELY PARALLEL COMPUTERS; MONTE CARLO CALCULATION; NEW YORK; PHASE SPACES;

COMPUTER SOFTWARE SELECTION AND EVALUATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MATERIALS PROPERTIES; PHASE SPACE METHODS;

HAMILTONIANS;

EID: 79955461655 PISSN: 00218979 EISSN: None Source Type: Journal
DOI: 10.1063/1.3562218 Document Type: Conference Paper

Times cited : (27)

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4
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