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"Is the choice of a standard zeroth-order hamiltonian in CASPT2 ansatz ..."

Lukasz Wolanski, Dawid Grabarek, Tadeusz Andruniów (2018)

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DOI: 10.1002/JCC.25217

access: closed

type: Journal Article

metadata version: 2020-04-01

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  - https://dblp.org/rec/journals/jcc/WolanskiGA18
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? J. Comput. Chem. 39(20): 1470-1480 (2018)

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