Nonadiabatic corrections to rovibrational levels of H2

Loading...
Thumbnail Image

Date

2009

Advisor

Editor

Journal Title

Journal ISSN

Volume Title

Publisher

American Institute of Physics

Title alternative

Abstract

The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective moment of inertia. The resulting radial Schrödinger equation for nuclear motion is solved numerically yielding accurate nonadiabatic energies for all rovibrational levels of the H2 molecule. Results for states with J ≤ 10 are in excellent agreement with previous calculations by Wolniewicz, and for states with J>10 are new.

Description

Sponsor

Keywords

Nonadiabatic corrections, Rovibrational levels, Effective nuclear mass, Radial Schrödinger equation, Hydrogen molecule, Correlated Gaussian functions

Citation

J. Chem. Phys. 130, 164113 (2009)

ISBN

DOI

Title Alternative

Rights Creative Commons

Creative Commons License

Uniwersytet im. Adama Mickiewicza w Poznaniu
Biblioteka Uniwersytetu im. Adama Mickiewicza w Poznaniu
Ministerstwo Nauki i Szkolnictwa Wyższego