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

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.

References in corpus (2)

• Spin-selective reactions of radical pairs act as quantum measurements
• A quantum mechanical NMR simulation algorithm for protein-scale spin systems

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