Tracking of temporal molecular data: A direct inversion algorithm for recovering potential energy and dipole functions

Zi Min Lu, Herschel Rabitz

Research output: Contribution to journalArticle

25 Scopus citations

Abstract

In this paper, we present a unified approach to inverting molecular potential energy and dipole functions from time-dependent measurements. This algorithm combines the regularized solution of a Fredholm integral equation of the first kind containing the data with time-dependent wave-packet propagation. The result is a nonlinear, noniterative algorithm to recover the potential and dipole functions from the time-dependent data. The recovered regions of these functions correspond to those sampled by evolving wave packets associated with the laboratory data. Although the algorithm is designed to track temporal data, synthetic tracking data may be generated for inversion by the use of appropriate steady measurements.

Original languageEnglish (US)
Pages (from-to)1961-1967
Number of pages7
JournalPhysical Review A
Volume52
Issue number3
DOIs
StatePublished - Jan 1 1995

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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