Computation of the S1 ← S0 Vibronic Absorption Spectrum of Formaldehyde by Variational Gaussian Wavepacket and Semiclassical IVR Methods
Author:
Affiliation:
1. Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, D-60438 Frankfurt/Main, Germany
2. Chemical and Biological Physics Department, Weizmann Institute of Science, 76000 Rehovot, Israel
Funder
German-Israeli Foundation for Scientific Research and Development
Alexander von Humboldt-Stiftung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00355
Reference64 articles.
1. Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra
2. Photofragmentation of symmetric triatomic molecules: Time dependent picture
3. Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
4. Communication: Separable potential energy surfaces from multiplicative artificial neural networks
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