Year: 2007
Type: article
Abstract: Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the eZe configuration (where the classical motion is fully chaotic) and the Zee configuration (where the classical dynamics is nearly integrable) are treated. The classical motion is regularized to remove singularities that occur when the electrons collide with the nucleus. Very good agreement is obtained with quantum energies for bound and resonance states calculated by the complex rotation method.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.2771173
Authors: C. Harabati, K. G. Kay
Institution: Bar-Ilan University
Language: English
Subfield: Statistical and Nonlinear Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1996341857