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Asymptotics of the ground state energy of heavy molecules in self-generated magnetic field

Published 19 Mar 2013 in math-ph, math.MP, and math.SP | (1303.4505v4)

Abstract: We consider asymptotics of the ground state energy of heavy atoms and molecules in the self-generatedl magnetic field. Namely, we consider H=((DA)σ)<sup>2V</sup> H=((D-A)\cdot\boldsymbol{\sigma})<sup>2-V</sup> with V=1mMZmxymV=\sum_{1\le m\le M} \frac{Z_m}{|x-y_m|} and a corresponding Multiparticle Quantum Hamiltonian $$ \mathsf{H}=\sum_{1\le n\le N} H_{x_n} +\sum_{1\le n &lt; n&#39;\le N}|x_n-x_{n&#39;}|<sup>{-1}</sup> $$ on the Fock space 1nNL<sup>2(R<sup>3,</sup></sup>C<sup>2)\wedge _{1\le n\le N} L<sup>2(\mathbb{R}<sup>3,</sup></sup> \mathbb{C}<sup>2). Here AA is a self-generated magnetic fiels. Then the ground state energy is given by E(A)=infSpec(H)+1α×A<sup>2dx</sup> \mathsf{E}(A)=\inf \operatorname{Spec}(\mathsf{H})+\frac{1}{\alpha}\int |\nabla \times A|<sup>2\,dx</sup> where the last term is the energy of magnetic field. Under assumption αZκ<sup>\alpha Z\le \kappa<sup>* (with a small constant κ<sup>\kappa<sup>*) we study the ground State Energy E<sup>=inf</sup>AE(A). \mathsf{E}<sup>*=\inf</sup> _{A}\mathsf{E}(A). We derive its asymptotics including Scott, and Schwinger and Dirac corrections. We also consider related topics: an excessive negative charge, ionization energy and excessive positive charge when atoms can still bind into molecules.

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