Eur. Phys. J. D (2016) 70: 146
https://doi.org/10.1140/epjd/e2016-70133-6

Regular Article

The ²Π_g shape resonance of acetylene anion: an investigation with the RAC method^*

¹ J. HeyrovskýInstitute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8, Czech Republic
² Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 18000 Prague 8, Czech Republic

^a e-mail: roman.curik@jh-inst.cas.cz

Received: 26 February 2016
Received in final form: 3 May 2016
Published online: 5 July 2016

Abstract

Recently developed method of regularized analytic continuation (RAC) is applied to determination of the ²Π_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.