Počet záznamů: 1
The 2Πg shape resonance of acetylene anion: an investigation with the RAC method
- 1.0466960 - ÚFCH JH 2017 RIV DE eng J - Článek v odborném periodiku
Čurík, Roman - Paidarová, Ivana - Horáček, Michal
The 2Πg shape resonance of acetylene anion: an investigation with the RAC method.
European Physical Journal D. Roč. 70, č. 7 (2016), č. článku 146. ISSN 1434-6060. E-ISSN 1434-6079
Grant CEP: GA MŠMT LD14088
Grant ostatní: COST(XE) CM1301
Institucionální podpora: RVO:61388955
Klíčová slova: ANALYTICAL CONTINUATION * ELECTRON-SCATTERING * COUPLING-CONSTANT
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.288, rok: 2016
Recently developed method of regularized analytic continuation (RAC) is applied to determination of the (2)Pi(g) resonance of acetylene anion. The method is based on continuation of the electron affinities calculated for the anion in presence of an external perturbation field. Its independence on the correlation treatment of the many-electron system allows application of accurate coupled-clusters methods for electronic structure calculations utilized in determination of the resonance position and width.
Trvalý link: http://hdl.handle.net/11104/0265135
Počet záznamů: 1