127 research outputs found

    Many Particle Hardy-Inequalities

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    In this paper we prove three differenttypes of the so-called many-particle Hardy inequalities. One of them is a "classical type" which is valid in any dimesnion d≠2d\neq 2. The second type deals with two-dimensional magnetic Dirichlet forms where every particle is supplied with a soplenoid. Finally we show that Hardy inequalities for Fermions hold true in all dimensions.Comment: 20 page

    Analyticity of the density of electronic wavefunctions

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    We prove that the electronic densities of atomic and molecular eigenfunctions are real analytic in R3{\mathbb R}^3 away from the nuclei.Comment: 19 page

    ANALYTIC STRUCTURE OF SOLUTIONS TO MULTICONFIGURATION EQUATIONS

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    Abstract. We study the regularity at the positions of the (fixed) nuclei of solutions to (non-relativistic) multiconfiguration equations (including Hartree–Fock) of Coulomb systems. We prove the following: Let {ϕ1,..., ϕM} be any solution to the rank–M multiconfiguration equations for a molecule with L fixed nuclei at R1,..., RL ∈ R 3. Then, for any j ∈ {1,..., M}, k ∈ {1,..., L}, there exists a neighbourhood Uj,k ⊆ R 3 of Rk, and functions ϕ (1) j,k, ϕ(2) j,k, real analytic in Uj,k, such that ϕj(x) = ϕ (1) (2) j,k (x) + |x − Rk|ϕ j,k (x), x ∈ Uj,k. A similar result holds for the corresponding electron density. The proof uses the Kustaanheimo–Stiefel transformation, as applied in [9] to the study of the eigenfunctions of the Schrödinger operator of atoms and molecules near two-particle coalescence points. 1. Introduction an

    The electron density is smooth away from the nuclei

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    We prove that the electron densities of electronic eigenfunctions of atoms and molecules are smooth away from the nuclei.Comment: 16 page

    On spectral minimal partitions II, the case of the rectangle

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    In continuation of \cite{HHOT}, we discuss the question of spectral minimal 3-partitions for the rectangle ]−a2,a2[×]−b2,b2[]-\frac a2,\frac a2[\times ] -\frac b2,\frac b2[ , with 0<a≤b0< a\leq b. It has been observed in \cite{HHOT} that when 0<ab<380<\frac ab < \sqrt{\frac 38} the minimal 3-partition is obtained by the three nodal domains of the third eigenfunction corresponding to the three rectangles ]−a2,a2[×]−b2,−b6[]-\frac a2,\frac a2[\times ] -\frac b2,-\frac b6[, ]−a2,a2[×]−b6,b6[]-\frac a2,\frac a2[\times ] -\frac b6,\frac b6[ and ]−a2,a2[×]b6,b2[]-\frac a2,\frac a2[\times ] \frac b6, \frac b2[. We will describe a possible mechanism of transition for increasing ab\frac ab between these nodal minimal 3-partitions and non nodal minimal 3-partitions at the value 38 \sqrt{\frac 38} and discuss the existence of symmetric candidates for giving minimal 3-partitions when 38<ab≤1 \sqrt{\frac 38}<\frac ab \leq 1. Numerical analysis leads very naturally to nice questions of isospectrality which are solved by introducing Aharonov-Bohm Hamiltonians or by going on the double covering of the punctured rectangle

    Sharp regularity results for many-electron wave functions

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