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Long-range analysis of density fitting in extended systems
Názov Long-range analysis of density fitting in extended systems Autor Varga Štefan 1954 SAVANOCH - Ústav anorganickej chémie SAV Zdroj.dok. International Journal of Quantum Chemistry. Vol. 108, no. 9 (2008), p. 1518-1527 Jazyk dok. eng - angličtina Druh dok. rozpis článkov z periodík (rbx) Ohlasy MASCHIO, L. - USVYAT, D. Fitting of local densities in periodic systems. In PHYSICAL REVIEW B. ISSN 1098-0121, AUG 2008, vol. 78, no. 7. 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. CHERKES, I. - KLAIMAN, S. - MOISEYEV, N. Spanning the Hilbert Space With an Even Tempered Gaussian Basis Set. In INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. ISSN 0020-7608, NOV 5 2009, vol. 109, no. 13, Sp. Iss. SI, p. 2996-3002. 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. DUNLAP, B.I. - ROSCH, N. - TRICKEY, S.B. Variational fitting methods for electronic structure calculations. In MOLECULAR PHYSICS. ISSN 0026-8976, 2010, vol. 108, no. 21-23, SI, p. 3167-3180. DUNLAP, Brett I. - SCHWEIGERT, Igor V. Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics. In JOURNAL OF CHEMICAL PHYSICS, 2011, vol.134, no.4. 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. LAZARSKI, Roman - BUROW, Asbjoern M. - SIERKA, Marek. Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Methods. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2015, vol. 11, no. 7, pp. 3029. GRAJCIAR, Lukas. Low-memory iterative density fitting. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2015, vol. 36, no. 20, pp. 1521. ALVAREZ-IBARRA, A. - KOESTER, A. M. A new mixed self-consistent field procedure. In MOLECULAR PHYSICS. ISSN 0026-8976, 2015, vol. 113, no. 19-20, pp. 3128. WANG, Xiao - LEWIS, Cannada A. - VALEEV, Edward F. Efficient evaluation of exact exchange for periodic systems via concentric atomic density fitting. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2020, vol. 153, no. 12, pp. Dostupné na: https://doi.org/10.1063/5.0016856. 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. 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. SUN, Q.M. Exact exchange with range-separated algorithm for thermodynamic limit of periodic Hartree-Fock theory. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, JUL 14 2023, vol. 159, no. 2. Dostupné na: https://doi.org/10.1063/5.0155815. KADEK, M. - WANG, B.K. - JOOSTEN, M. - CHIU, W.C. - MAIRESSE, F. - REPISKY, M. - RUUD, K. - BANSIL, A. Band structures and Zsub2/sub invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals. In PHYSICAL REVIEW MATERIALS. ISSN 2475-9953, JUN 2 2023, vol. 7, no. 6. Dostupné na: https://doi.org/10.1103/PhysRevMaterials.7.064001. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2008 Registrované v WOS Registrované v SCOPUS Registrované v CCC DOI 10.1002/qua.21682 
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) 2008 2007 1.368 Q1 0.790 Q2
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