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The maximal excess charge in Müller density-matrix-functional theory

Frank, Rupert L. and Nam, Phan Thành and Van Den Bosch, Hanne (2018) The maximal excess charge in Müller density-matrix-functional theory. Annales Henri Poincaré, 19 (9). pp. 2839-2867. ISSN 1424-0637.

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We consider an atom described by Müller theory, which is similar to Hartree–Fock theory, but with a modified exchange term. We prove that a nucleus of charge Z can bind at most Z + C electrons, where C is a universal constant. Our proof proceeds by comparison with Thomas–Fermi theory, and a key ingredient is a novel bound on the number of electrons far from the nucleus.

Item Type:Article
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Frank, Rupert L.0000-0001-7973-4688
Additional Information:© 2018 Springer International Publishing AG, part of Springer Nature. Received: 04 December 2017; Accepted: 09 April 2018; First Online: 07 July 2018. The authors are grateful to Heinz Siedentop for a motivating discussion. Partial support by U.S. National Science Foundation DMS-1363432 (R.L.F.), Austrian Science Fund (FWF) Project Nr. P 27533-N27 (P.T.N.), CONICYT (Chile) through CONICYT–PCHA/Doctorado Nacional/2014, Fondecyt Project # 116–0856 and Iniciativa Científica Milenio (Chile) through Millennium Nucleus RC–120002 “Física Matemática” (H.V.D.B.) is acknowledged.
Funding AgencyGrant Number
FWF Der WissenschaftsfondsP 27533-N27
Comisión Nacional de Investigación Científica y Tecnológica (CONICYT)116-0856
Iniciativa Científica Milenio del Ministerio de Economía, Fomento y TurismoRC-120002
Issue or Number:9
Record Number:CaltechAUTHORS:20170428-155623144
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Official Citation:Frank, R.L., Nam, P.T. & Van Den Bosch, H. Ann. Henri Poincaré (2018) 19: 2839.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:77073
Deposited By: Tony Diaz
Deposited On:28 Apr 2017 23:44
Last Modified:09 Mar 2020 13:18

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