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DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride.
Barcza, Gergely; Ivády, Viktor; Szilvási, Tibor; Vörös, Márton; Veis, Libor; Gali, Ádám; Legeza, Örs.
Affiliation
  • Barcza G; Wigner Research Centre for Physics, P.O. Box 49, Budapest H-1525, Hungary.
  • Ivády V; J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, Prague CZ-18223, Czechia.
  • Szilvási T; Wigner Research Centre for Physics, P.O. Box 49, Budapest H-1525, Hungary.
  • Vörös M; Department of Physics, Chemistry and Biology, Linköping University, Linköping SE-581 83, Sweden.
  • Veis L; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.
  • Gali Á; Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, Alabama 35487, United States.
  • Legeza Ö; Material Sciences Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.
J Chem Theory Comput ; 17(2): 1143-1154, 2021 Feb 09.
Article in En | MEDLINE | ID: mdl-33435672
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Hungary Country of publication: United States
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Hungary Country of publication: United States