Data for: On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

Data for publication: T. Begusic, J. Vanicek, On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy, J. Chem. Phys., 153, 184110 (2020). Contains simulated linear and two-dimensional spectra of the S1 - S0 electronic transition of phenol, excited-state and ground-state ab initio trajectories at the PBE0/6-311G(d,p) level of theory, and other supporting data related to the abovementioned publication.

Related Organizations

Laboratory of Physical Chemistry
Switzerland
École Polytechnique Fédérale de Lausanne EPFL
Switzerland

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average