Phys. Chem. Chem. Phys.
 2023
DOI: 10.1039/d3cp02127k
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Non-adiabatic coupling in the potential energy surfaces of SO2 molecule

Sedigheh Pourestarabadi,
Maryam Dehestani

Abstract: To investigate the potential energy surfaces and the coupling between its adiabatic states of SO2 molecule, it is necessary to consider the non-adiabatic coupling terms (NACTs), where the Born-Oppenheimer approximation...

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