Energy landscapes for electronic structure
Orbital-optimized multiple self-consistent-field (SCF) solutions are increasingly being interpreted as mean-field approximations of diabatic or excited electronic states. However, surprisingly little is known about the topology of the electronic energy landscape from which these multiple solutions e...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Chemical Society
2020
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