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- 1.0441389 - ÚFCH JH 2016 RIV US eng J - Journal Article
Čársky, Petr
Prospects of using the second-order perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules.
AIP Conference Proceedings. Roč. 191, č. 2015 (2015), s. 191-192. ISSN 1551-7616
R&D Projects: GA MŠMT OC09079; GA MŠMT(CZ) OC10046; GA ČR GA202/08/0631
Grant - others:COST(XE) CM0805; COST(XE) CM0601
Institutional support: RVO:61388955
Keywords : electron-scattering * calculation of cross sections * second-order perturbation theory
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0244618File Download Size Commentary Version Access 0441389.pdf 1 271.8 KB Publisher’s postprint require - 2.0437212 - ÚFCH JH 2015 RIV GB eng J - Journal Article
Čurík, Roman - Šulc, M.
Towards efficient ab initio calculations of electron scattering by polyatomic molecules: III. Modelling correlation-polarization interactions.
Journal of Physics B-Atomic Molecular and Optical Physics. Roč. 43, č. 17 (2010), s. 175205. ISSN 0953-4075. E-ISSN 1361-6455
R&D Projects: GA MŠMT(CZ) OC10046; GA MŠMT OC09079; GA AV ČR KJB400400803; GA ČR GA202/08/0631
Institutional research plan: CEZ:AV0Z40400503
Keywords : Ab initio calculations * Commonly used * DFT potential
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.902, year: 2010
Permanent Link: http://hdl.handle.net/11104/0240766 - 3.0376346 - ÚFCH JH 2013 RIV US eng J - Journal Article
Čársky, Petr - Čurík, Roman - Varga, Š.
Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition.
Journal of Chemical Physics. Roč. 136, č. 11 (2012), s. 114105. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT OC09079; GA MŠMT(CZ) OC10046; GA ČR GAP208/11/0452; GA ČR GAP208/11/2222
Institutional research plan: CEZ:AV0Z40400503
Keywords : density functional theory * molecular moments * optimisation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.164, year: 2012
Permanent Link: http://hdl.handle.net/11104/0208773 - 4.0353953 - ÚFCH JH 2011 RIV GB eng J - Journal Article
Horáček, J. - Paidarová, Ivana
On the calculation of resonances by means of analytic continuation in coupling constant.
Journal of Physics: Conference Series. Roč. 257, č. 1 (2010), 012002. ISSN 1742-6588. E-ISSN 1742-6596
R&D Projects: GA MŠMT(CZ) LC06014; GA MŠMT OC09079
Institutional research plan: CEZ:AV0Z40400503
Keywords : electron collisions * Dissociation * coupling constant
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0193055 - 5.0347178 - ÚFCH JH 2011 RIV GB eng J - Journal Article
Čársky, Petr
Towards efficient ab initio calculations of electron scattering by polyatomic molecules: II. Efficient evaluation of exchange integrals.
Journal of Physics B-Atomic Molecular and Optical Physics. Roč. 43, č. 17 (2010), s. 175204. ISSN 0953-4075. E-ISSN 1361-6455
R&D Projects: GA MŠMT OC09079; GA MŠMT(CZ) OC10046; GA ČR GA202/08/0631
Institutional research plan: CEZ:AV0Z40400503
Keywords : ab initio calculations * electron scattering * polyatomic molecules
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.902, year: 2010
Permanent Link: http://hdl.handle.net/11104/0188011 - 6.0347177 - ÚFCH JH 2011 RIV GB eng J - Journal Article
Čársky, Petr
Towards efficient ab initio calculations of electron scattering by polyatomic molecules: I. Efficient numerical quadrature of the UGT term.
Journal of Physics B-Atomic Molecular and Optical Physics. Roč. 43, č. 17 (2010), s. 175203. ISSN 0953-4075. E-ISSN 1361-6455
R&D Projects: GA MŠMT OC09079; GA MŠMT(CZ) OC10046; GA ČR GA202/08/0631
Institutional research plan: CEZ:AV0Z40400503
Keywords : ab initio calculations * electron scattering * polyatomic molecules
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.902, year: 2010
Permanent Link: http://hdl.handle.net/11104/0188010