Semiclassical initial value calculations of collinear helium atom

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.

24 pages, 3 figures. Submitted to J. Phys. B

References in corpus (1)

• Semiclassical time--dependent propagation in three dimensions: How accurate is it for a Coulomb potential?

Cited by in corpus (6)

• Time-Dependent Density Functional Theory for Open Quantum Systems with Unitary Propagation
• The Importance of the Pre-exponential Factor in Semiclassical Molecular Dynamics
• Application of the Mixed Time-averaging Semiclassical Initial Value Representation method to Complex Molecular Spectra
• Spectra of Harmonium in a magnetic field using an initial value representation of the semiclassical propagator
• Electron Correlation via Frozen Gaussian Dynamics
• The collinear helium atom and two-electron ions