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...
| Main Authors: | , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics (AIP)
2018
|
| Online Access: | http://hdl.handle.net/1721.1/119440 https://orcid.org/0000-0002-3714-2753 https://orcid.org/0000-0001-8659-6535 https://orcid.org/0000-0002-5338-8876 https://orcid.org/0000-0001-7111-0176 |