Analyticity of the density of electronic wavefunctions (Q1880444): Difference between revisions
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Latest revision as of 11:11, 30 July 2024
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English | Analyticity of the density of electronic wavefunctions |
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Analyticity of the density of electronic wavefunctions (English)
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28 September 2004
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We consider an \(N\)-electron molecule with \(L\) fixed nuclei. The non-relativistic Hamiltonian of the molecule is given by \[ H=-\Delta+V(x), \] where \[ \Delta=\sum_{j=1}^N\Delta_j, \] \[ V(x)=\sum_{j=1}^N\left(-\sum_{l=1}^L\frac{Z_l}{| x_j-R_l| }\right)+\sum_{1\leq i<j\leq N}\frac1{| x_i-x_j| }+\sum_{1\leq l<k\leq L}\frac{Z_lZ_k}{| R_l-R_k| }, \] is Coulomb potential, \(\Delta_j\) is \(3\)-dimensional Laplacian, \((R_1,\dots,R_L)\in \mathbb R^{3L}\), \(R_l\neq R_k\) for \(k\neq l\), denote the position of the \(L\) nuclei whose positive charges are given by \((Z_1,\dots,Z_L)\). Positions of the \(N\) electrons are denoted by \((x_1,\dots,x_N)\in \mathbb R^{3N}\), where \(x_j\) denotes the position of the \(j\)th electron in \(\mathbb R^3\). The following theorem is the main result of this article. Let \(\psi\in L^2(\mathbb R^{3N})\) satisfy the equation \(H\psi=E\psi\), with \(E\in \mathbb R\). Then \[ \varrho(x)=\int_{\mathbb R^{3N-3}}| \psi(x,x_2\dots,x_N)| ^2\,dx_2\dots dx_N \] is a real analytic function in \(\mathbb R^3\setminus\{R_1,\dots,R_L\}\).
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singular perturbations
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Coulomb potential
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Hamiltonian
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