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Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories

Research output: Contribution to journal › Article › peer-review

Abstract

Auxiliary matrix exponential method is used to derive simple and numerically efficient general expressions for the following, historically rather cumbersome, and hard to compute, theoretical methods: (1) average Hamiltonian theory following interaction representation transformations; (2) Bloch-Redfield-Wangsness theory of nuclear and electron relaxation; (3) gradient ascent pulse engineering version of quantum optimal control theory. In the context of spin dynamics, the auxiliary matrix exponential method is more efficient than methods based on matrix factorizations and also exhibits more favourable complexity scaling with the dimension of the Hamiltonian matrix.

Original languageEnglish
Article number084113
JournalJournal of Chemical Physics
Volume143
Issue number8
DOIs
StatePublished - 28 Aug 2015
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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