Inverse quantum-mechanical control

A means for design and a test of intuition

Peter Gross, Harjinder Singh, Herschel Rabitz, Kenneth Mease, Garng Morton Huang

Research output: Contribution to journalArticle

90 Citations (Scopus)

Abstract

The inverse quantum-mechanical control of molecules is studied using the equation of motion for the expectation value of an operator. With this method, a requisite external field is obtained to track exactly a prescribed molecular objective expectation value as a function of time. Applications to diatomic and polyatomic molecules are formulated. While the method is directly applicable as a test of physical intuition, it can in principle be used to design fields for specific objectives including reactive selectivity. Results are presented for position and energy tracking in the hydrogen fluoride molecular system. The numerical calculations show that seemingly benign objective tracks may give rise to singularities in the field. However, these singularities do not present problems in the evolution of the dynamical quantities and instead provide useful hints for designing robust fields.

Original languageEnglish
Pages (from-to)4593-4604
Number of pages12
JournalPhysical Review A
Volume47
Issue number6
DOIs
Publication statusPublished - 1 Jan 1993
Externally publishedYes

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polyatomic molecules
hydrofluoric acid
diatomic molecules
equations of motion
selectivity
operators
molecules
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Inverse quantum-mechanical control : A means for design and a test of intuition. / Gross, Peter; Singh, Harjinder; Rabitz, Herschel; Mease, Kenneth; Huang, Garng Morton.

In: Physical Review A, Vol. 47, No. 6, 01.01.1993, p. 4593-4604.

Research output: Contribution to journalArticle

Gross, Peter ; Singh, Harjinder ; Rabitz, Herschel ; Mease, Kenneth ; Huang, Garng Morton. / Inverse quantum-mechanical control : A means for design and a test of intuition. In: Physical Review A. 1993 ; Vol. 47, No. 6. pp. 4593-4604.
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