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Time-dependent coupled-cluster theory
Figure 1. Absorption spectrum for green fluorescent protein chromaphore
computed at the TD-EOM-CC2/cc-pVDZ level of theory.
Figure 2. X-ray absorption features in formaldehyde computed at the
TD-EOM-CCSD/aug-cc-pVTZ level of theory.
Carbon and oxygen K-edge features, which are separated by
roughly 250 eV, can both be obtained from a single time-domain