Počet záznamov: 1
Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations
Názov Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations Autor Kedžuch Stanislav 1979 SAVANOCH - Ústav anorganickej chémie SAV Spoluautori Demel Ondřej Pittner Jiří Ten-no Seiichiro Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Zdroj.dok. Chemical Physics Letters. Vol. 511, no. 4-6 (2011), p. 418-423 Jazyk dok. eng - angličtina Krajina NL - Holandsko Druh dok. rozpis článkov z periodík (rbx) Ohlasy MAHAPATRA, Uttam Sinha - CHATTOPADHYAY, Sudip. Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemes. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2012, vol. 33, no. 14, pp. 1285. HAETTIG, Christof - KLOPPER, Wim - KOEHN, Andreas - TEW, David P. Explicitly Correlated Electrons in Molecules. In CHEMICAL REVIEWS. ISSN 0009-2665, 2012, vol. 112, no. 1, pp. 4. HAUNSCHILD, Robin - MAO, Shuneng - MUKHERJEE, Debashis - KLOPPER, Wim. A universal explicit electron correlation correction applied to Mukherjee's multi-reference perturbation theory. In CHEMICAL PHYSICS LETTERS. ISSN 0009-2614, 2012, vol. 531, no., pp. 247. BOOTH, George H. - CLELAND, Deidre - ALAVI, Ali - TEW, David P. An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2012, vol. 137, no. 16, pp. YANAI, Takeshi - SHIOZAKI, Toru. Canonical transcorrelated theory with projected Slater-type geminals. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2012, vol. 136, no. 8, pp. MOHLENKAMP, Martin J. CAPTURING THE INTERELECTRON CUSP USING A GEMINAL LAYER ON AN UNCONSTRAINED SUM OF SLATER DETERMINANTS. In SIAM JOURNAL ON APPLIED MATHEMATICS. ISSN 0036-1399, 2012, vol. 72, no. 6, pp. 1742. HAUNSCHILD, Robin - CHENG, Lan - MUKHERJEE, Debashis - KLOPPER, Wim. Communication: Extension of a universal explicit electron correlation correction to general complete active spaces. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 138, no. 21, pp. PATKOWSKI, Konrad. Basis set converged weak interaction energies from conventional and explicitly correlated coupled-cluster approach. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 138, no. 15, pp. SHIOZAKI, Toru - WERNER, Hans-Joachim. Multireference explicitly correlated F12 theories. In MOLECULAR PHYSICS. ISSN 0026-8976, 2013, vol. 111, no. 5, pp. 607. USVYAT, Denis. Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 139, no. 19, pp. LESIUK, Michal - JEZIORSKI, Bogumil - MOSZYNSKI, Robert. On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 139, no. 13, pp. KOEHN, Andreas - HANAUER, Matthias - MUECK, Leonie Anna - JAGAU, Thomas-Christian - GAUSS, Juergen. State-specific multireference coupled-cluster theory. In WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. ISSN 1759-0876, 2013, vol. 3, no. 2, pp. 176. GRUENEIS, Andreas - SHEPHERD, James J. - ALAVI, Ali - TEW, David P. - BOOTH, George H. Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 139, no. 8, pp. MALRIEU, Jean Paul - CABALLOL, Rosa - CALZADO, Carmen J. - DE GRAAF, Coen - GUIHERY, Nathalie. Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians. In CHEMICAL REVIEWS. ISSN 0009-2665, 2014, vol. 114, no. 1, pp. 429. ROSKOP, Luke B. - KONG, Liguo - VALEEV, Edward F. - GORDON, Mark S. - WINDUS, Theresa L. Assessment of Perturbative Explicitly Correlated Methods for Prototypes of Multiconfiguration Electronic Structure. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2014, vol. 10, no. 1, pp. 90. SILKOWSKI, Michal - LESIUK, Michal - MOSZYNSKI, Robert. Calculation of the molecular integrals with the range-separated correlation factor. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2015, vol. 142, no. 12, pp. SEN, Avijit - SEN, Sangita - SAMANTA, Pradipta Kumar - MUKHERJEE, Debashis. Unitary Group Adapted State Specific Multireference Perturbation Theory: Formulation and Pilot Applications. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2015, vol. 36, no. 9, pp. 670. YANAI, Takeshi - KURASHIGE, Yuki - MIZUKAMI, Wataru - CHALUPSKY, Jakub - TRAN NGUYEN LAN - SAITOW, Masaaki. Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications. In INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. ISSN 0020-7608, 2015, vol. 115, no. 5, pp. 283. GHOSH, Anirban - CHAUDHURI, Rajat K. - CHATTOPADHYAY, Sudip. Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2016, vol. 145, no. 12, pp. GUO, Yang - SIVALINGAM, Kantharuban - VALEEV, Edward F. - NEESE, Frank. Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12). In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2017, vol. 147, no. 6, pp. KEDZIORSKI, A. - ZOBEL, J.P. - KROSNICKI, M. - KOPERSKI, J. Rydberg states of ZnAr complex. In MOLECULAR PHYSICS. ISSN 0026-8976, OCT 18 2022, vol. 120, no. 19-20, SI. Dostupné na: https://doi.org/10.1080/00268976.2022.2073282. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2011 Registrované v WOS Registrované v SCOPUS Registrované v CCC DOI 10.1016/j.cplett.2011.06.023 
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) 2011 2010 2.282 Q2 1.213 Q1
Počet záznamov: 1