An improved interatomic potential for xenon in UO2: A combined density functional theory/genetic algorithm approach

Journal of Physics Condensed Matter

Volumn 26, Issue 10, 2014, Pages

  Thompson, Alexander E ^a   Meredig, Bryce ^a   Wolverton, C ^a  

^a Northwestern University   (United States)

Author keywords

density functional theory; molecular dynamics; potential fitting; UO 2

Indexed keywords

URANIUM DERIVATIVE; URANIUM OXIDE; XENON;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; QUANTUM THEORY;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; URANIUM COMPOUNDS; XENON;

EID: 84894332113     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/10/105501     Document Type: Article

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