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Molecular second-quantized Hamiltonian: Electron correlation and non-adiabatic coupling treated on an equal footing
Sibaev, Marat, Polyak, Iakov, Manby, Frederick R., Knowles, Peter J.Volume:
153
Journal:
The Journal of Chemical Physics
DOI:
10.1063/5.0018930
Date:
September, 2020
File:
PDF, 1.39 MB
2020