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0540602 - BFÚ 2021 RIV US eng J - Journal Article
Smith, D. G. A. - Burns, L. A. - Simmonett, A. C. - Parrish, R. M. - Schieber, M. C. - Galvelis, R. - Kraus, P. - Kruse, Holger - Di Remigio, R. - Alenaizan, A. - James, A. M. - Lehtola, S. - Misiewicz, J. P. - Scheurer, M. - Shaw, R. A. - Schriber, J. B. - Xie, Y. - Glick, Z. L. - Sirianni, D. A. - O'Brien, J. S. - Waldrop, J. M. - Kumar, A. - Hohenstein, E. G. - Pritchard, B. P. - Brooks, B. R. - Schaefer, H. F. - Sokolov, A. - Patkowski, K. - DePrince, A. E. - Bozkaya, U. - King, R. A. - Evangelista, F. A. - Turney, J. M. - Crawford, T. D. - Sherrill, C. D.
PSI4 1.4: Open-source software for high-throughput quantum chemistry.
Journal of Chemical Physics. Roč. 152, č. 18 (2020), č. článku 184108. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT EF15_003/0000477
Institutional support: RVO:68081707
Keywords : adapted perturbation-theory * density-functional theory * fragment potential method * coupled-cluster methods
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 3.488, year: 2020
Method of publishing: Open access
https://aip.scitation.org/doi/10.1063/5.0006002
Permanent Link: http://hdl.handle.net/11104/0318226