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Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems
Title Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems Author Milko Matúš SAVANOCH - Ústav anorganickej chémie SAV Co-authors Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Varga Štefan 1954 SAVANOCH - Ústav anorganickej chémie SAV Source document International Journal of Quantum Chemistry. Vol. 107, no. 11 (2007), p. 2158-2168 Language eng - English Document kind rozpis článkov z periodík (rbx) Citations KATOUDA, M. - NAGASE, S. Application of second-order Moller-Plesset perturbation theory with resolution-of-identity approximation to periodic systems. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, NOV 14 2010, vol. 133, no. 18. LORENZ, Marco - MASCHIO, Lorenzo - SCHUETZ, Martin - USVYAT, Denis. Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2012, vol. 137, no. 20, pp. SONG, Haigang - VAN DER VELDEN, Niels S. - SHIRAN, Sally L. - BLEIZIFFER, Patrick - ZACH, Christina - SIEBER, Ramon - IMANI, Aman S. - KRAUSBECK, Florian - AEBI, Markus - FREEMAN, Michael F. - RINIKER, Sereina - KUNZLER, Markus - NAISMITH, James H. A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds. In SCIENCE ADVANCES. ISSN 2375-2548, 2018, vol. 4, no. 8, pp. PATTERSON, C. H. Density fitting in periodic systems: Application to TDHF in diamond and oxides. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2020, vol. 153, no. 6, pp. Dostupné na: https://doi.org/10.1063/5.0014106. PATTERSON, C. H. Excited states of molecular and crystalline acetylene: application of TDHF and BSE via density fitting methods. In MOLECULAR PHYSICS. ISSN 0026-8976, 2021, vol. 119, no. 13, pp. Dostupné na: https://doi.org/10.1080/00268976.2020.1792568. HANSEN, A. S. - AURBAKKEN, E. - PEDERSEN, T. B. Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems. In MOLECULAR PHYSICS, 2021, vol. 119, no. 9, pp. ISSN 0026-8976. Dostupné na: https://doi.org/10.1080/00268976.2021.1896046. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2007 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1002/qua.21401 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2007 2006 1.182 Q2 0.711 Q2
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