Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 12, 2006, Pages

  Batista, Enrique R ^a   Heyd, Jochen ^b   Hennig, Richard G ^c   Uberuaga, Blas P ^d   Martin, Richard L ^a   Scuseria, Gustavo E ^b   Umrigar, C J ^e   Wilkins, John W ^c  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b RICE UNIVERSITY   (United States)

^c OHIO STATE UNIVERSITY   (United States)

^d LOS ALAMOS NATIONAL LABORATORY   (United States)

^e Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748995685     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.121102     Document Type: Article

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