Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories
Journal Article
·
· Journal of Chemical Physics
- School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ (United Kingdom)
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.
- OSTI ID:
- 22493564
- Journal Information:
- Journal of Chemical Physics, Vol. 143, Issue 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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