Publication at Faculty of Mathematics and Physics |
2016
Abstract
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.