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PCMCalculation

Section Hamiltonian::PCM
Type logical
Default no

If true, the calculation is performed accounting for solvation effects by using the Integral Equation Formalism Polarizable Continuum Model IEF-PCM formulated in real-space and real-time (J. Chem. Phys. 143, 144111 (2015), Chem. Rev. 105, 2999 (2005), J. Chem. Phys. 139, 024105 (2013)). At the moment, this option is available only for TheoryLevel = DFT. PCM is tested for CalculationMode = gs, while still experimental for other values (in particular, CalculationMode = td).

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