Please use this identifier to cite or link to this item:
Title: Nonadiabatic corrections to rovibrational levels of H2
Authors: Pachucki, Krzysztof
Komasa, Jacek
Keywords: Nonadiabatic corrections
Rovibrational levels
Effective nuclear mass
Radial Schrödinger equation
Hydrogen molecule
Correlated Gaussian functions
Issue Date: 2009
Publisher: American Institute of Physics
Citation: J. Chem. Phys. 130, 164113 (2009)
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.
ISSN: 0021-9606
Appears in Collections:Artykuły naukowe (WCh)

Files in This Item:
File Description SizeFormat 
JCPSA613016164113_1.pdf185.6 kBAdobe PDFView/Open
Show full item record

Items in AMUR are protected by copyright, with all rights reserved, unless otherwise indicated.