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- W4313592334 abstract "A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrational spectra as well as the energy transfer processes between the vibrational modes. The model is described as a system of four interacting anharmonic oscillators nonlinearly coupled to their respective heat baths. To perform a rigorous numerical investigation of the non-Markovian and nonperturbative quantum dissipative dynamics of the model, we derive discretized hierarchical equations of motion in mixed Liouville-Wigner space, with Lagrange-Hermite mesh discretization being employed in the Liouville space of the intramolecular modes and Lagrange-Hermite mesh discretization and Hermite discretization in the Wigner space of the intermolecular modes. One-dimensional infrared and Raman spectra and two-dimensional terahertz-infrared-visible and infrared-infrared-Raman spectra are computed as demonstrations of the quantum dissipative description provided by our model." @default.
- W4313592334 created "2023-01-06" @default.
- W4313592334 creator A5036458048 @default.
- W4313592334 creator A5049154276 @default.
- W4313592334 date "2023-01-25" @default.
- W4313592334 modified "2023-09-30" @default.
- W4313592334 title "Discretized hierarchical equations of motion in mixed Liouville–Wigner space for two-dimensional vibrational spectroscopies of liquid water" @default.
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- W4313592334 doi "https://doi.org/10.1063/5.0135725" @default.
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