Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics

Björn Baumeier; Onur Çaylak; Carlo Mercuri; Mark Peletier; Georg Prokert; Wouter Scharpach

Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics

Björn Baumeier, Onur Çaylak, Carlo Mercuri, Mark Peletier, Georg Prokert, Wouter Scharpach

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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, identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.

Originele taal-2	Engels
Tijdschrift	Journal of Mathematical Analysis and Applications
Volume	XX
Nummer van het tijdschrift	X
Status	Niet gepubliceerd - 20 nov. 2020

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arXiv 2011.10542v1Finale auteursversie , 430 KB

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title = "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, identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations. ",

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AU - Baumeier, Björn

AU - Çaylak, Onur

AU - Mercuri, Carlo

AU - Peletier, Mark

AU - Prokert, Georg

AU - Scharpach, Wouter

PY - 2020/11/20

Y1 - 2020/11/20

N2 - 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, identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.

AB - 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, identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.

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M3 - Article

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VL - XX

JO - Journal of Mathematical Analysis and Applications

JF - Journal of Mathematical Analysis and Applications

IS - X

ER -

Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics

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