Author: Komasa, Jacek

Source: Molecular Physics, Volume 104, Numbers 13-14, -14/10 July-20 July 2006 , pp. 2193-2202(10)

Publisher: Taylor and Francis Ltd

Abstract:

Microhartree accuracy wave functions composed of exponentially correlated Gaussians (ECG) are employed to calculate the electronic energy curve of the A state of the helium dimer. The Born-Oppenheimer energy is augmented by adiabatic and relativistic corrections. Calculations are performed for a wide range of internuclear separations R including the separated atoms limit. Computed vibrational energy levels and other spectroscopic parameters are compared with the experimental data. The electric dipole transition moments and the Einstein spontaneous emission coefficients are reported for the X system.

Document Type: Research article

DOI: http://dx.doi.org/10.1080/00268970600659461

Affiliations: 1: Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland

Publication date: 2006-01-01

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