Vibrational energies of H2+ using fully nonadiabatic wavefunctions |
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| Authors: | Steven A. Alexander Robert L. Coldwell |
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| Affiliation: | 1. Department of Physics, Southwestern University, Georgetown, Texas 78626Fax: (+512) 863 1696;2. Department of Physics, University of Florida, Gainesville, Florida 32611 |
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| Abstract: | 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 H2+. Our final energies are in excellent agreement with previous calculations. © 2012 Wiley Periodicals, Inc. |
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| Keywords: | Monte Carlo vibrational energy fully nonadiabatic |
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