The multireference state specific coupled cluster theory with CAS reference (CASCCSD) is generalized for calculations of electronically excited states. Test calculations have demonstrated high effectivity of the approach in comparison with other approximate approaches and with the full configuration interaction method.
CITATION STYLE
Ivanov, V. V., Lyakh, D. I., & Adamowicz, L. (2010). Electronic Excited States in the State-Specific Multireference Coupled Cluster Theory with a Complete-Active-Space Reference. In Challenges and Advances in Computational Chemistry and Physics (Vol. 11, pp. 219–249). Springer. https://doi.org/10.1007/978-90-481-2885-3_9
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