Unified formulation for control and inversion of molecular dynamics

Zi Min Lu, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

37 Scopus citations


In this paper we present a unified approach for the control and inversion of molecular dynamics. The concept of molecular tracking ties the subjects to a common formulation. For molecular control the time-dependent track of an observable operator is imposed a priori and the control field is determined to meet the track. For extraction of the potential and/or dipole function the time-dependent track is observed laboratory data. A common three-step algorithm is presented to treat both seemingly unrelated problems. The essential features of the algorithm are presented in the paper.

Original languageEnglish (US)
Pages (from-to)13731-13735
Number of pages5
JournalJournal of physical chemistry
Issue number37
StatePublished - 1995

All Science Journal Classification (ASJC) codes

  • General Engineering
  • Physical and Theoretical Chemistry


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