Electronic wavefunctions for small molecules

Electronic wavefunctions for small molecules

PART I. A simple variationally-based method for calculating electronic wavefunctions of excited states, the improved virtual orbital (IVO) method, is developed in this work. Calculations are presented for H_2O, O_2, CO, and N_2. While the IVO method gives limited accuracy in the treatment of valence...

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Bibliographic Details
Main Author: Hunt, William James
Format: Others
Published: 1972
Online Access:https://thesis.library.caltech.edu/5366/1/Hunt_wj_1972.pdf
Hunt, William James (1972) Electronic wavefunctions for small molecules. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/F5KA-3M29. https://resolver.caltech.edu/CaltechTHESIS:11122009-074130644 <https://resolver.caltech.edu/CaltechTHESIS:11122009-074130644>

Internet

https://thesis.library.caltech.edu/5366/1/Hunt_wj_1972.pdf
Hunt, William James (1972) Electronic wavefunctions for small molecules. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/F5KA-3M29. https://resolver.caltech.edu/CaltechTHESIS:11122009-074130644 <https://resolver.caltech.edu/CaltechTHESIS:11122009-074130644>

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