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- 1.0524283 - ÚFCH JH 2021 RIV US eng J - Journal Article
Lang, Jakub - Antalík, Andrej - Veis, Libor - Brandejs, Jan - Brabec, Jiří - Legeza, Ö. - Pittner, Jiří
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T).
Journal of Chemical Theory and Computation. Roč. 16, č. 5 (2020), s. 3028-3040. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA18-24563S; GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Grant - others:Ga MŠk(CZ) LM2015070; AV ČR(CZ) MTA-19-04
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : Energy * Basis sets * Quantum mechanics * Chemical calculations
OECD category: Physical chemistry
Impact factor: 6.006, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0308654File Download Size Commentary Version Access 0524283.pdf 1 2.3 MB Publisher’s postprint require - 2.0524281 - ÚFCH JH 2021 RIV US eng J - Journal Article
Brandejs, Jan - Višňák, Jakub - Veis, Libor - Maté, M. - Legeza, Ö. - Pittner, Jiří
Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain.
Journal of Chemical Physics. Roč. 152, č. 17 (2020), č. článku 174107. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA18-24563S
Grant - others:Ga MŠk(CZ) LM2015070; GA MŠk(CZ) LM2015042; AV ČR(CZ) MTA-19-04
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : Dynamical correlation * Coupled-cluster methods * Dirac-Coulomb Hamiltonian
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Open access with time embargo
Permanent Link: http://hdl.handle.net/11104/0308652File Download Size Commentary Version Access 0524281.pdf 0 1.2 MB Publisher’s postprint open-access