Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics
Abstract
We prove existence and uniqueness of solutions to the initial-value problem associated with a class of time-dependent Kohn-Sham equations coupled with Newtonian nuclear dynamics. We consider a pure power exchange term within a generalisation of the Local Density Approximation (LDA), identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.
- Publication:
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arXiv e-prints
- Pub Date:
- November 2020
- DOI:
- 10.48550/arXiv.2011.10542
- arXiv:
- arXiv:2011.10542
- Bibcode:
- 2020arXiv201110542B
- Keywords:
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- Mathematics - Analysis of PDEs