Optical Gaps in Pristine and Heavily Doped Silicon Nanocrystals: DFT versus Quantum Monte Carlo Benchmarks.

Derian, R; Tokár, K; Somogyi, B; Gali, Á; Stich, I.

Afiliação

Derian R; Center for Computational Materials Science, Institute of Physics, Slovak Academy of Sciences , 84511 Bratislava, Slovakia.
Tokár K; Center for Computational Materials Science, Institute of Physics, Slovak Academy of Sciences , 84511 Bratislava, Slovakia.
Somogyi B; Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Hungarian Academy of Sciences , Budapest, Hungary.
Gali Á; Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Hungarian Academy of Sciences , Budapest, Hungary.
Stich I; Department of Atomic Physics, Budapest University of Technology and Economics , Budafoki út 8., H-1111 Budapest, Hungary.

J Chem Theory Comput ; 13(12): 6061-6067, 2017 Dec 12.

Article em En | MEDLINE | ID: mdl-29083915

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article