TITLE

HO[sub 2] rovibrational eigenvalue studies for nonzero angular momentum

AUTHOR(S)
Wu, Xudong T.; Hayes, Edward F.
PUB. DATE
August 1997
SOURCE
Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p2705
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on an efficient parallel algorithm for determining all bound rovibrational energy levels for the hydrogen dioxide molecule for nonzero angular momentum values. Eigenvalues of the polyatomic Hamiltonian; Direct product discrete variable representation (DVR) basis; Implicitly restarted Lanczos method (IRLM) of Sorensen.
ACCESSION #
4266768

 

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