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0524012 - ÚOCHB 2021 RIV US eng J - Journal Article
Lischka, H. - Shepard, R. - Müller, T. - Szalay, P. G. - Pitzer, R. M. - Aquino, A. J. A. - do Nascimento, M. M. A. - Barbatti, M. - Belcher, L. T. - Blaudeau, J. P. - Borges, I. - Brozell, S. R. - Carter, E. A. - Das, A. - Gidofalvi, G. - González, L. - Hase, W. L. - Kedziora, G. - Kertesz, M. - Kossoski, F. - Machado, F. B. C. - Matsika, S. - do Monte, S. A. - Nachtigallová, Dana - Nieman, R. - Oppel, M. - Parish, C. A. - Plasser, F. - Spada, R. F. K. - Stahlberg, E. A. - Ventura, E. - Yarkony, D. R. - Zhang, Z.
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Journal of Chemical Physics. Roč. 152, č. 13 (2020), č. článku 134110. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA18-09914S
Institutional support: RVO:61388963
Keywords : Gaussian basis sets * correlated molecular calculations * size-extensive modification
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Limited access
https://aip.scitation.org/doi/10.1063/1.5144267
Permanent Link: http://hdl.handle.net/11104/0308333