Relativistic LCGTO-FF calculations of quantum-size effects in plutonium films

International Journal of Quantum Chemistry

Volumn 105, Issue 6, 2005, Pages 564-570

  Boettger, Jonathan C ^a   Ray, Asok K ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

DFT calculations; LCGTO FF method; Plutonium; Relativistic corrections; Ultra thin films

Indexed keywords

COMPUTATIONAL UNCERTAINTIES; DFT CALCULATIONS; LCGTO-FF METHOD; RELATIVISTIC CORRECTIONS;

APPROXIMATION THEORY; COMPUTATIONAL METHODS; INTERFACIAL ENERGY; PLUTONIUM; QUANTUM THEORY;

ULTRATHIN FILMS;

EID: 30544450123     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20650     Document Type: Conference Paper

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