Orthogonality of embedded wave functions for different states in Frozen-Density Embedding Theory
Uracil U1 - B3LYP/cc-pVDZ
Uracil U3 - B3LYP/cc-pVDZ
Uracil U4 - B3LYP/cc-pVDZ
Dipeptide - B3LYP/cc-pVTZ
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Last modified 30/01/2019