Advantages of complex scaling only the most diffuse basis functions in simultaneous description of both resonances and bound states

0455199 - FZÚ 2016 RIV GB eng J - Journal Article
Landau, A. - Haritan, I. - Kaprálová-Žďánská, Petra Ruth - Moiseyev, N.
Advantages of complex scaling only the most diffuse basis functions in simultaneous description of both resonances and bound states.
Molecular Physics. Roč. 113, 19-20 (2015), s. 3141-3146. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA MŠMT(CZ) LG13029
Institutional support: RVO:68378271
Keywords : resonance * complex scaling * non-Hermitian * ab-initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.837, year: 2015

We demonstrate that using a mixed complex-scaled basis set, in which only diffuse functions are scaled, is an appropriate approach for simultaneous description of both bound and resonance atomic states, which can be accurately described even by relatively small basis sets. Using this method, complex scaling can be applied on molecular systems in order to find resonance states.

Permanent Link: http://hdl.handle.net/11104/0255837