Search results
- 1.0466963 - ÚFCH JH 2017 RIV DE eng J - Journal Article
Sauer, S. P. A. - Paidarová, Ivana - Čársky, Petr - Čurík, Roman
Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations.
European Physical Journal D. Roč. 70, č. 5 (2016), č. článku 105. ISSN 1434-6060. E-ISSN 1434-6079
R&D Projects: GA MŠMT LD14088
Grant - others:COST(XE) CM1301
Institutional support: RVO:61388955
Keywords : DENSITY-FUNCTIONAL-THEORY * COUPLED-CLUSTER CALCULATIONS * FREQUENCY-DEPENDENT POLARIZABILITIES
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.288, year: 2016
Permanent Link: http://hdl.handle.net/11104/0265136 - 2.0384530 - ÚFCH JH 2013 RIV US eng J - Journal Article
Brabec, Jiří - Bhaskaran-Neir, K. - Govind, N. - Pittner, Jiří
Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.
Journal of Chemical Physics. Roč. 137, č. 17 (2012), s. 171101. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GAP208/11/2222
Institutional support: RVO:61388955
Keywords : coupled cluster calculations * electron correlations * excited states
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.164, year: 2012
Permanent Link: http://hdl.handle.net/11104/0215311 - 3.0384502 - ÚFCH JH 2013 RIV US eng J - Journal Article
Brabec, Jiří - van Dam, H. J. J. - Pittner, Jiří - Kowalski, K.
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations.
Journal of Chemical Physics. Roč. 136, č. 12 (2012), s. 124102. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GAP208/11/2222
Institutional research plan: CEZ:AV0Z40400503
Keywords : configuration interactions * coupled cluster calculations * relativistic corrections
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.164, year: 2012
Permanent Link: http://hdl.handle.net/11104/0214129 - 4.0329382 - ÚFCH JH 2010 RIV US eng J - Journal Article
Bhaskaran-Nair, Kiran - Demel, Ondřej - Pittner, Jiří
Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations.
[Multireferenční stavově-specifická Mukherjeeho metoda vázaných klastrů s neiterativním zahrnutím triexcitací.]
Journal of Chemical Physics. Roč. 129, č. 18 (2008), , 184105-1-24. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/07/0070; GA AV ČR 1ET400400413; GA AV ČR KSK4040110
Institutional research plan: CEZ:AV0Z40400503
Keywords : coupled cluster calculations * excited states * organic compounds * oxygen
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.149, year: 2008
Permanent Link: http://hdl.handle.net/11104/0175436 - 5.0326297 - ÚOCHB 2010 RIV US eng J - Journal Article
Rubeš, Miroslav - Nachtigall, Petr - Vondrášek, Jiří - Bludský, Ota
Structure and stability of the water - graphite complexes.
Journal of Physical Chemistry C. Roč. 113, č. 19 (2009), s. 8412-8419. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT LC512; GA AV ČR IAA400550613
Institutional research plan: CEZ:AV0Z40550506
Keywords : water-graphite * DFT * coupled-cluster calculations * interaction energy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0173439 - 6.0023164 - ÚOCHB 2006 RIV CZ eng J - Journal Article
Špirko, Vladimír
Potential energy curve of N2 in its ground electronic state.
[Křivka potenciální energie základního elektronického stavu N2.]
Collection of Czechoslovak Chemical Communications. Roč. 70, č. 6 (2005), 731-739. ISSN 0010-0765
R&D Projects: GA AV ČR(CZ) IAA400550511
Institutional research plan: CEZ:AV0Z40550506
Keywords : N2 molecule * coupled-cluster calculations * reduced potential curve
Subject RIV: CC - Organic Chemistry
Impact factor: 0.949, year: 2005
Permanent Link: http://hdl.handle.net/11104/0111836