Recent mathematical results on the quantum modeling of crystals
Catto, Isabelle; Lions, Pierre-Louis; Le Bris, Claude (2000), Recent mathematical results on the quantum modeling of crystals, in Mireille Defranceschi, Claude Le Bris, Mathematical models and methods for ab initio quantum chemistry, Springer : Berlin Heidelberg, p. 95-120. 10.1007/978-3-642-57237-1_5
Book titleMathematical models and methods for ab initio quantum chemistry
Book authorMireille Defranceschi, Claude Le Bris
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Abstract (EN)We describe in this paper a strategy, the so-called thermodynamic limit process, to build in a rigorous mathematical manner the quantum-mechanical models for the ground-state energy of solid crystals. These models are the analogues for the solid state of well-known models issued from Quantum Chemistry, namely Thomas-Fermi, Hartree and Hartree-Fock type models. We shall present a broad overview on recent mathematical studies on this topic.
Subjects / KeywordsDensity functional theory; Hartree model; Hartree-Fock models
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