Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: a state-average approach.
Kazaryan A, Heuver J, Filatov M.
Kazaryan A, et al. Among authors: filatov m.
J Phys Chem A. 2008 Dec 18;112(50):12980-8. doi: 10.1021/jp8033837.
J Phys Chem A. 2008.
PMID: 18616234
The new method is based on the use of the spin-restricted ensemble-referenced Kohn-Sham formalism [Filatov, M.; Shaik, S. Chem. Phys. Lett. 1999, 304, 429] for the calculation of the ground state. ...
The new method is based on the use of the spin-restricted ensemble-referenced Kohn-Sham formalism [Filatov, M.; Shaik, S. Chem …