- Multireference F12 coupled cluster theory: The Brillouin-Wigner appro…
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Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations

  1. KEDŽUCH, Stanislav - DEMEL, Ondřej - PITTNER, Jiří - TEN-NO, Seiichiro - NOGA, Jozef. Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations. In Chemical Physics Letters, 2011, vol. 511, no. 4-6, p. 418-423. (2011 - Current Contents). ISSN 0009-2614. Available on: https://doi.org/10.1016/j.cplett.2011.06.023
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    :[1.1] 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., Registrované v: WOS, SCOPUS
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    :[1.1] 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., Registrované v: WOS, SCOPUS
    :[1.1] 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., Registrované v: WOS, SCOPUS
    :[1.1] 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., Registrované v: WOS, SCOPUS
    :[1.1] 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., Registrované v: WOS
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    :[1.1] SHIOZAKI, Toru - WERNER, Hans-Joachim. Multireference explicitly correlated F12 theories. In MOLECULAR PHYSICS. ISSN 0026-8976, 2013, vol. 111, no. 5, pp. 607., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] 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., Registrované v: WOS
    :[1.1] GUO, Y. - PAVOSEVIC, F. - SIVALINGAM, K. - BECKER, U. - VALEEV, E.F. - NEESE, F. SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, MAR 28 2023, vol. 158, no. 12. Dostupné na: https://doi.org/10.1063/5.0144260., Registrované v: WOS
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