An inverse method for obtaining smooth multidimensional potential energy surfaces: Application to Ar+OH A 2Σ+(v=0)

Tak San Ho, Herschel Albert Rabitz, Seung E. Choi, Marsha I. Lester

Research output: Contribution to journalArticle

37 Scopus citations

Abstract

A regularized inverse method is developed to determine an accurate multidimensional potential energy surface directly from spectral or scattering data. The method properly handles the inherent underdeterminancy, instability and nonlinearity of the problem, and extracts a physically acceptable smooth solution. The method is implemented for Ar+OH(A 2Σ+) .

Original languageEnglish (US)
Pages (from-to)2282-2285
Number of pages4
JournalThe Journal of chemical physics
Volume102
Issue number5
DOIs
StatePublished - Jan 1 1995

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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