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SUMMARY:Interpolation between Hartree-Fock and Müller functional: Continu
 ity and existence of a minimiser - Christoph Kehle\, CCA
DTSTART:20161019T150000Z
DTEND:20161019T160000Z
UID:TALK68596@talks.cam.ac.uk
CONTACT:41319
DESCRIPTION:The ground state energy of atoms can be bounded from above by 
 the infimum of the Hartree-Fock functional. Also\, numerical results sugge
 st that the Müller functional gives a lower bound for the ground state en
 ergy. Thus\, the so-called Power functional introduced in [1]\, which inte
 rpolates between these functionals\, is an important tool to compute the g
 round state energy of atoms in quantum chemistry. \nThe aim of my Master's
  thesis was to prove rigorous statements for the Power functional. In the 
 talk\, I will start with the càdlàg property for the ground state energy
  depending on the interpolation parameter. \nThen\, the existence of a min
 imiser for infinitely many electron numbers N and any proton number Z>1/2 
 will be presented. At the end\, I will shortly comment on the recent proof
  of the ionisation conjecture for the Power functional [2]. \n# S. Sharma 
 et al. "Reduced density matrix functional for many-electron systems". In: 
 Physical Review B 78.20 (2008)\, Nr. 201103.\n# C. Kehle. "The maximal exc
 ess charge for a family of density-matrix-functional theories including Ha
 rtree-Fock and Müller theories." arXiv preprint arXiv:1609.06272 (2016).
LOCATION:MR14\, Centre for Mathematical Sciences
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