Creator:

Komasa Jacek

Contributor:

Cencek Wojciech

Abstract:

The Born-Oppenheimer (BO) potential energy curve, the adiabatic and the relativistic corrections for the EF state of the hydrogen molecule are calculated for the internuclear distances ranging from 0.01 to 20 bohr. 600-term variational expansions of exponentially correlated Gaussian (ECG) functions are used. The BO energies and the adiabatic corrections are more accurate than previously reported and the relativistic calculations confirm existing literature values.

Place of publishing:

Poznań

Publisher:

OWN

Date submitted:

2004.02.19

Resource Type:

artykuł

Format:

application/pdf

Language:

eng