Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics
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arXiv
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| Autori principali: | , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2020
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| _version_ | 1866910327232266240 |
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| author | Baumeier, Björn Çaylak, Onur Mercuri, Carlo Peletier, Mark Prokert, Georg Scharpach, Wouter |
| author_facet | Baumeier, Björn Çaylak, Onur Mercuri, Carlo Peletier, Mark Prokert, Georg Scharpach, Wouter |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2011_10542 |
| institution | arXiv |
| publishDate | 2020 |
| record_format | arxiv |
| spellingShingle | Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics Baumeier, Björn Çaylak, Onur Mercuri, Carlo Peletier, Mark Prokert, Georg Scharpach, Wouter Analysis of PDEs 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. |
| title | Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics |
| topic | Analysis of PDEs |
| url | https://arxiv.org/abs/2011.10542 |