Excited-state correlation and state character
Research context
postgraduate concept · conditional · As of 2026-10-10
EOM-EE describes target electronic states by excitation operators acting on a correlated reference.
Key knowledge
EOM-EE describes target electronic states by excitation operators acting on a correlated reference. EOM-CCSD performs better for predominantly single promotions than substantial double excitations; larger excitation truncations and adequate valence/Rydberg bases can be needed.
Conditions and scope
- Benchmark the state character and environment; excitation energies do not alone supply full spectra or excited-state dynamics.
Sources · 1
References
Sources retain their recorded scope. A source link alone does not establish verification of every statement.
Evidence and review
Q-Chem 7.0: Excited states via EOM-EE-CCSD and EOM-CCSDT: Section 7.9.2: excitation operator and singly/doubly excited state limitations (relevant full-text sections)
2026-10-10 · Bounded author source inspection of excited-state correlation and state character, including the stated conditions; independent branch review is recorded separately.
Entry details
Permanent link to this entry ↗- Record identity
- res-chem-eom-excited
- Revision
- research.1
- Structured reference record
- Postgraduate & research reference