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• W4385957102 abstract "To investigate the potential energy surfaces and the coupling between the adiabatic states of SO2 molecules, it is necessary to consider the non-adiabatic coupling terms (NACTs), where the Born-Oppenheimer approximation breaks down. In this work, we analyze the conical intersections between 1 1A1 and 1 1B2 states (the A' states in Cs symmetry) and 1 1A2 and 1 1B1 states (the A'' states in Cs symmetry) using NACTs and adiabatic-to-diabatic transformation (ADT) angles. Our results confirm reasonable interaction between 1 1A1 and 1 1B2 states and strong interaction between 1 1A2 and 1 1B1 states." @default.
• W4385957102 created "2023-08-18" @default.
• W4385957102 creator A5016433641 @default.
• W4385957102 creator A5026615446 @default.
• W4385957102 date "2023-01-01" @default.
• W4385957102 modified "2023-10-17" @default.
• W4385957102 title "Non-adiabatic coupling in the potential energy surfaces of SO₂ molecule" @default.
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• W4385957102 doi "https://doi.org/10.1039/d3cp02127k" @default.
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