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Density fitting of two-electron integrals in extended systems with translational periodicity: The coulomb problem
Názov Density fitting of two-electron integrals in extended systems with translational periodicity: The coulomb problem Autor Varga Štefan 1954 SAVANOCH - Ústav anorganickej chémie SAV Spoluautori Milko Matúš SAVANOCH - Ústav anorganickej chémie SAV Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Zdroj.dok. Journal of Chemical Physics. Vol. 124, no. 3 (2006), p. 034106-1-034106-7 Jazyk dok. eng - angličtina Krajina US - Spojené štáty Druh dok. rozpis článkov z periodík (rbx) Ohlasy MASCHIO, L. - USVYAT, D. - MANBY, F.R. - CASASSA, S. - PISANI, C. - SCHUTZ, M. Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms. In PHYSICAL REVIEW B. ISSN 1098-0121, AUG 2007, vol. 76, no. 7. USVYAT, D. - MASCHIO, L. - MANBY, F.R. - CASASSA, S. - SCHUTZ, M. - PISANI, C. Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal. In PHYSICAL REVIEW B. ISSN 1098-0121, AUG 2007, vol. 76, no. 7. MASCHIO, L. - USVYAT, D. Fitting of local densities in periodic systems. In PHYSICAL REVIEW B. ISSN 1098-0121, AUG 2008, vol. 78, no. 7. PISANI, C. - MASCHIO, L. - CASASSA, S. - HALO, M. - SCHUTZ, M. - USVYAT, D. Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, OCT 2008, vol. 29, no. 13, p. 2113-2124. BUROW, A.M. - SIERKA, M. - MOHAMED, F. Resolution of identity approximation for the Coulomb term in molecular and periodic systems. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, DEC 7 2009, vol. 131, no. 21. 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. USVYAT, D. - MASCHIO, L. - PISANI, C. - SCHUTZ, M. Second Order Local Moller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code. In ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS. ISSN 0942-9352, 2010, vol. 224, no. 3-4, SI, p. 441-454. LORENZ, Marco - USVYAT, Denis - SCHUETZ, Martin. Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. In JOURNAL OF CHEMICAL PHYSICS, 2011, vol. 134, no. 9. 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. YE, Hong-Zhou - BERKELBACH, Timothy C. Fast periodic Gaussian density fitting by range separation. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2021, vol. 154, no. 13, pp. Dostupné na: https://doi.org/10.1063/5.0046617. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2006 Registrované v WOS Registrované v SCOPUS Registrované v CCC DOI 10.1063/1.2145877 
článok
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) 2006 2005 3.138 Q1 2.323 Q1
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