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

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

Afiliación

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 en En | MEDLINE | ID: mdl-29083915

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2017 Tipo del documento: Article País de afiliación: Eslovaquia Pais de publicación: Estados Unidos

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