Literature DB >> 19405567

Nonadiabatic corrections to rovibrational levels of H2.

Krzysztof Pachucki1, Jacek Komasa.   

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 Schrodinger equation for nuclear motion is solved numerically yielding accurate nonadiabatic energies for all rovibrational levels of the H(2) molecule. Results for states with J < or = 10 are in excellent agreement with previous calculations by Wolniewicz, and for states with J > 10 are new.

Entities:  

Year:  2009        PMID: 19405567     DOI: 10.1063/1.3114680

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Core-valence stockholder AIM analysis and its connection to nonadiabatic effects in small molecules.

Authors:  Paulo H R Amaral; José R Mohallem
Journal:  J Chem Phys       Date:  2017-05-21       Impact factor: 3.488

2.  Photolysis Production and Spectroscopic Investigation of the Highest Vibrational States in H2 (X1Σg+ v = 13, 14).

Authors:  K-F Lai; M Beyer; E J Salumbides; W Ubachs
Journal:  J Phys Chem A       Date:  2021-01-27       Impact factor: 2.781

  2 in total

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