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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?

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Description scientific article published on 10 April 2018
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author: Tadeusz Andruniów  Łukasz Wolański  Dawid Grabarek 

Publication date April 10, 2018
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