000			02140nam a22003135i 4500
001			66273
005			20210426135551.0
010			_a978-3-642-12248-4 _dcompra
090			_a66273
100			_a20150401d2010 k||y0pory50 ba
101			_aeng
102			_aDE
200			_aRegularity and approximability of electronic wave functions _bDocumento electrónico _fHarry Yserentant
210			_aBerlin, Heidelberg _cSpringer Berlin Heidelberg _d2010
215			_aVIII, 188 p. _cil.
225			_aLecture Notes in Mathematics
300			_aColocação: Online
303			_aThe electronic Schrödinger equation describes the motion of N-electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3N variables, with three spatial dimensions for each electron. Approximating these solutions is thus inordinately challenging, and it is generally believed that a reduction to simplified models, such as those of the Hartree-Fock method or density functional theory, is the only tenable approach. This book seeks to show readers that this conventional wisdom need not be ironclad: the regularity of the solutions, which increases with the number of electrons, the decay behavior of their mixed derivatives, and the antisymmetry enforced by the Pauli principle contribute properties that allow these functions to be approximated with an order of complexity which comes arbitrarily close to that for a system of one or two electrons. The text is accessible to a mathematical audience at the beginning graduate level as well as to physicists and theoretical chemists with a comparable mathematical background and requires no deeper knowledge of the theory of partial differential equations, functional analysis, or quantum theory.
606			_918657 _aOndas
606			_930635 _aEquação de Schrodinger
606			_97749 _aTeoria da aproximação
680			_aQC174.26
700			_957577 _aYserentant _bHarry
801			_aPT _gRPC
856			_uhttp://dx.doi.org/10.1007/978-3-642-12248-4
942			_2lcc _cF _n0