Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S1 ← S0 vibronic absorption spectrum of formaldehyde
Author:
Affiliation:
1. Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0003272
Reference37 articles.
1. Semiclassical on-the-fly computation of the S0→S1 absorption spectrum of formaldehyde
2. A theoretical study on the spectroscopy and the radiative and non-radiative relaxation rate constants of the S01A1–S11A2 vibronic transitions of formaldehyde
3. Computation of the S1 ← S0 Vibronic Absorption Spectrum of Formaldehyde by Variational Gaussian Wavepacket and Semiclassical IVR Methods
4. Three-State Trajectory Surface Hopping Studies of the Photodissociation Dynamics of Formaldehyde on ab Initio Potential Energy Surfaces
5. Temperature dependence of the absorption cross sections of formaldehyde between 223 and 323 K in the wavelength range 225-375 nm
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