σ-SCF: A direct energy-targeting method to mean-field excited states
The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like ∆-SCF (selfconsistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem k...
| Main Authors: | , , , |
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| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics (AIP),
2018-12-04T21:20:49Z.
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| Subjects: | |
| Online Access: | Get fulltext |