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The 2Πg shape resonance of acetylene anion: an investigation with the RAC method
- 1.0466960 - ÚFCH JH 2017 RIV DE eng J - Journal Article
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
R&D Projects: GA MŠMT LD14088
Grant - others:COST(XE) CM1301
Institutional support: RVO:61388955
Keywords : ANALYTICAL CONTINUATION * ELECTRON-SCATTERING * COUPLING-CONSTANT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.288, year: 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.
Permanent Link: http://hdl.handle.net/11104/0265135
Number of the records: 1