Correction of potential energy surface using inverse perturbation and singular value decomposition

Research output: Contribution to journalArticlepeer-review

Abstract

A procedure to correct an existing potential energy surface using experimental spectroscopic data is presented. The current approach uses an inverse perturbation analysis with a least-square fitting and solves linear algebraic equations by singular value decomposition. Application to a two-dimensional Ar-OH potential shows that the current approach is accurate, numerically stable and fast convergent.

Original languageEnglish (US)
Pages (from-to)195-200
Number of pages6
JournalChemical Physics Letters
Volume252
Issue number3-4
DOIs
StatePublished - Apr 12 1996

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Correction of potential energy surface using inverse perturbation and singular value decomposition'. Together they form a unique fingerprint.

Cite this