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

✍ Scribed by Roi Baer; Ronnie Kosloff

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
707 KB
Volume
200
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

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