Titlebook: Mathematical Models and Methods for Ab Initio Quantum Chemistry; Mireille Defranceschi,Claude Bris Book 2000 Springer-Verlag Berlin Heidel

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書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry讀者反饋




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欺騙世家

978-3-540-67631-7Springer-Verlag Berlin Heidelberg 2000

公式

Mathematical Models and Methods for Ab Initio Quantum Chemistry978-3-642-57237-1Series ISSN 0342-4901 Series E-ISSN 2192-6603

ROOF

delusion

A mathematical insight into , simulations of the solid phaseWe give here an introduction to the language of . solid-state theory. Starting from the intrinseque symmetries of a perfect crystal, we show how it is related to band structure theory and give a brief overview of the techniques in use to simulate such systems.

Gentry

占線

Recent mathematical results on the quantum modeling of crystalsels 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.

衰弱的心

impale

全面

Variational methods in relativistic quantum mechanics: new approach to the computation of Dirac eige that we introduce is done in a particular set offunctions satisfying a nonlinear constraint. Finally, we present several numerical methods that we have implemented in particular cases, in order to construct approximate solutions of that minimization problem.