On the accurate prediction of the optical absorption energy of F-centers in MgO from explicitly correlated ab initio cluster model calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1381011
Reference55 articles.
1. Second-order perturbation theory with a CASSCF reference function
2. Second‐order perturbation theory with a complete active space self‐consistent field reference function
3. Variational calculation of small energy differences. The singlet-triplet gap in [Cu2Cl6]2−
4. Specific CI calculation of energy differences: Transition energies and bond energies
5. Large‐scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
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