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Showing 1 to 1 of 1 for “"gentlest ascent dynamics"”.
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Towards Systematic Improvement of Density Functional Approximations
… state functional development, we also develop a gentlest ascent dynamics approach for accessing the excited states via time-independent ground state density functionals. This is also useful for exploring Kohn-Sham energy landscapes of approximate density functionals. I will also review the PPLB …