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Vibrational energies of H 2 + using fully nonadiabatic wavefunctions
Author(s) -
Alexander Steven A.,
Coldwell Robert L.
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24039
Subject(s) - wave function , physics , monte carlo method , atomic physics , mathematics , statistics
Using variational Monte Carlo methods, we examine a number of fully nonadiabatic trial wavefunctions to determine which features best describe the lowest several vibrational states of H 2 + . Our final energies are in excellent agreement with previous calculations. © 2012 Wiley Periodicals, Inc.
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