A COKOSNUT code for the control of the time-dependent Kohn-Sham model. Optimal control of multi-electron systems is considered in the framework of the time-dependent density functional theory. For this purpose, the MATLAB package COKOSNUT is presented that aims at solving optimal quantum control problems governed by the Kohn-Sham equation. This package includes a robust globalized nonlinear conjugate gradient scheme and an efficient splitting procedure for the numerical integration of the nonlinear Kohn-Sham equations in two dimensions. Results of numerical experiments demonstrate the ability of the COKOSNUT code in computing accurate optimal controls.
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References in zbMATH (referenced in 3 articles , 1 standard article )
Showing results 1 to 3 of 3.
- Ciaramella, G.; Sprengel, M.; Borzi, A.: A theoretical investigation of time-dependent Kohn-Sham equations: new proofs (2021)
- Sprengel, M.; Ciaramella, G.; Borzì, A.: Investigation of optimal control problems governed by a time-dependent Kohn-Sham model (2018)
- Sprengel, M.; Ciaramella, G.; Borzì, A.: A COKOSNUT code for the control of the time-dependent Kohn-Sham model (2017)