Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
© 2016 Author(s). A simple and powerful method for comparing many-electron wavefunctions constructed at different levels of theory is presented. By using wavefunction overlaps, it is possible to analyze the effects of varying wavefunction models, molecular orbitals, and one-electron basis sets. The...
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| Main Authors: | , |
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| Format: | Default Article |
| Published: |
2016
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/32145 |
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