Steady and Time-Resolved Photoelectron Spectra Based on Nuclear Ensembles-Reference-Cited by-同舟云学术

Steady and Time-Resolved Photoelectron Spectra Based on Nuclear Ensembles

Published:2016-09-14 Issue:10 Volume:12 Page:5037-5049
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Arbelo-González Wilmer¹,Crespo-Otero Rachel²,Barbatti Mario¹³

Affiliation:

1. Max-Planck-Institut für Kohlenforschung, Kaizer-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany

2. School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom

3. Aix Marseille Univ, CNRS, ICR, Marseille, France

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00704

Reference85 articles.

1. Barbatti, M.; Granucci, G.; Ruckenbauer, M.; Plasser, F.; Crespo-Otero, R.; Pittner, J.; Persico, M.; Lischka, H.NEWTON-X: A package for Newtonian dynamics close to the crossing seam.www.newtonx.org(accessed September 1, 2016). 2013.

2. Newton‐ X : a surface‐hopping program for nonadiabatic molecular dynamics

3. Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

4. Effects of different initial condition samplings on photodynamics and spectrum of pyrrole

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