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"A diagonalization-free optimization algorithm for solving Kohn-Sham ..."
Martin Mrovec, J. A. Berger (2021)
- Martin Mrovec, J. A. Berger:
A diagonalization-free optimization algorithm for solving Kohn-Sham equations of closed-shell molecules. J. Comput. Chem. 42(7): 492-504 (2021)
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