Lukasz Wolanski, Dawid Grabarek, Tadeusz Andruniów. Is the choice of a standard zeroth-order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?. Journal of Computational Chemistry, 39(20):1470-1480, 2018. [doi]
Abstract is missing.