Vertical excitation energies obtained with state-specific multi-reference coupled cluster (MRCC) methods are reported for the low-lying singlet and triplet excited of the ozone molecule. The MRCC results are also compared with those obtained with high-order equation-of-motion coupled cluster methods.
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Brief Report| December 06 2012
Note: Excited state studies of ozone using state-specific multireference coupled cluster methods
Kiran Bhaskaran-Nair, Karol Kowalski; Note: Excited state studies of ozone using state-specific multireference coupled cluster methods. J. Chem. Phys. 7 December 2012; 137 (21): 216101. https://doi.org/10.1063/1.4769775
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