Obtaining the excited-state potential by inversion of photodissociation absorption spectra

Roi Baer, Ronnie Kosloff*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

23 Scopus citations


An inversion scheme to obtain excited-state potential energy surfaces from experimental absorption spectra is presented. The scheme is based on simulating the quantum dynamical processes with high accuracy. A modification of the simulation enables analysis of regions in the potential which the absorption spectrum is sensitive to. These sensitivity regions are then used to construct a Hilbert space which becomes the functional base for the inversion procedure. In this Hilbert space an iterative scheme converges an initial model to a new potential which will reproduce the spectra. The scheme is illustrated for the ICN molecule.

Original languageAmerican English
Pages (from-to)183-191
Number of pages9
JournalChemical Physics Letters
Issue number1-2
StatePublished - 27 Nov 1992

Bibliographical note

Funding Information:
This research was partially supported by a grant from the Binational United States-Israel Foundation. The Fritz Haber Research Center for Molecular Dynamics is supported by the Minerva Gesellschaft fir die Forschung, GmbH Miinchen, Germany.


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