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. 2021 Jul 23;1(8):1116–1140. doi: 10.1021/jacsau.1c00252

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© 2021 The Authors. Published by American Chemical Society

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Construction of the linear vibronic coupling (LVC) potential. (a) Harmonic ground-state potential (blue curve). (b) Adding vertical excitation energies shifts harmonic excited-state potentials vertically (red, orange curves). (c) Adding intrastate coupling constants κ_i shifts harmonic excited-state curves diagonally (from dashed to solid curves). (d) Adding interstate coupling constants λ_ij couples the excited-state potentials (from dashed orange/red curves to solid green curves).

Inline graphic — Construction of the linear vibronic coupling (LVC) potential. (a) Harmonic ground-state potential (blue curve). (b) Adding vertical excitation energies shifts harmonic excited-state potentials vertically (red, orange curves). (c) Adding intrastate coupling constants κ_i shifts harmonic excited-state curves diagonally (from dashed to solid curves). (d) Adding interstate coupling constants λ_ij couples the excited-state potentials (from dashed orange/red curves to solid green curves).