Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation (Q2838587)
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scientific article; zbMATH DE number 6185807
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation |
scientific article; zbMATH DE number 6185807 |
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Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation (English)
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10 July 2013
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Schrödinger equation
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mixed regularity
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transcorrelated method
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wavelets
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separable approximation
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error estimate
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molecular system
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Galerkin method
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eigenvalue problem
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The author describes a molecular system using the Schrödinger equation NEWLINE\[NEWLINE -\frac{1}{2}\Delta u + V_{ne}u + \frac{1}{|x-y|} u = \lambda u NEWLINE\]NEWLINE in the space \( H^{1,1}(\mathbb R^{3},2)\). For the system of \(n\) electrons in the stationary case, this equation is reduced in the space of functions defined on the domain \(\mathbb R^{3}\times ({-\frac{1}{2},\frac{1}{2}})\). The Galerkin method, using an orthogonal basis of wavelets, is applied to solve this eigenvalue problem. An estimate of the error is given for the potential term of a one-electron system and for a two-electron operator.
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