Publications [#248316] of Joshua Socolar
- Mele, EJ; Socolar, J, Numerical integration of the time evolution operator: Excited‐state dynamics in conjugated molecules, Quantum Chemistry Symposium,
International Journal of Quantum Chemistry, vol. 26 no. 18 S
pp. 347-358, WILEY, ISSN 0020-7608 [Gateway.cgi], [doi]
(last updated on 2019/04/25)
Two simple and manageable schemes for integrating the time evolution operator e−iHt are discussed and applied to study vibronic effects in photoemission and optical excitation of model conjugated molecules. Copyright © 1984 John Wiley & Sons, Inc.