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Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition
Title Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition Author Čársky Petr Co-authors Čurík Roman Varga Štefan 1954 SAVANOCH - Ústav anorganickej chémie SAV Source document Journal of Chemical Physics. Vol. 136, no. 11 (2012), p. 114105-1-114105-8 Language eng - English Country US - United States of America Document kind rozpis článkov z periodík (rbx) Citations LAZARSKI, Roman - BUROW, Asbjoern Manfred - GRAJCIAR, Lukas - SIERKA, Marek. Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Method: Analytical Gradients. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2016, vol. 37, no. 28, pp. 2518-2526. SUN, Qiming - BERKELBACH, Timothy C. - MCCLAIN, James D. - CHAN, Garnet Kin-Lic. Gaussian and plane-wave mixed density fitting for periodic systems. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2017, vol. 147, no. 16, pp. WANG HAIJUN - XU FEIYUN - ZHAO JUN'AI - JIA MINPING - HU JIANZHONG - HUANG PENG. Bispectrum Feature Extraction of Gearbox Faults Based on Nonnegative Tucker3 Decomposition with 3D Calculations. In CHINESE JOURNAL OF MECHANICAL ENGINEERING. ISSN 1000-9345, 2013, vol. 26, no. 6, pp. 1182-1193. BECKER, Martin - SIERKA, Marek. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2019, vol. 40, no. 29, pp. 2563-2570. TEIXEIRA, Erico S. - MORALES, Jorge A. Electron nuclear dynamics with plane wave basis sets: complete theory and formalism. In THEORETICAL CHEMISTRY ACCOUNTS. ISSN 1432-881X, 2020, vol. 139, no. 4, pp. SKOMOROWSKI, Wojciech - KRYLOV, Anna I. Feshbach-Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementation. In JOURNAL OF CHEMICAL PHYSICS, 2021, vol. 154, no. 8, pp. ISSN 0021-9606. Dostupné na: https://doi.org/10.1063/5.0036976. SUN, Q.M. Efficient Hartree-Fock exchange algorithm with Coulomb range separation and long-range density fitting. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, DEC 14 2023, vol. 159, no. 22. Dostupné na: https://doi.org/10.1063/5.0178266. 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 2012 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1063/1.3693411 
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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) 2012 2011 3.333 Q1 1.845 Q1
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