Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 181, Issue 12, Pages 2158-2163Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cpc.2010.08.023
Keywords
Quantum systems; Optimal control theory; Optimality conditions; Newton scheme
Funding
- Austrian Science Fund FWF [P18136-N13]
- SFB [F3205-N18]
- Austrian Science Fund (FWF) [P18136] Funding Source: Austrian Science Fund (FWF)
- Austrian Science Fund (FWF) [F 3205, F 3202] Funding Source: researchfish
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A computer package (QUCON) is presented aimed at the solution of dipole quantum optimal control problems. This MATLAB package is based on a recently developed computational strategy based on a globalized reduced Hessian Krylov-Newton scheme and a discretize-before-optimize approach. To discretize the governing Schrodinger model a norm-preserving modified Crank-Nicolson scheme is used. The discretize-before-optimize criteria allows the formulation of accurate gradients and a symmetric Hessian. Robustness of the resulting Newton approach is guaranteed using a robust linesearch procedure. Results of experiments demonstrate that the QUCON code is able to provide fast and accurate controls for high-energy state transitions.
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