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Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation

Markus Bachmayr — 2012

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

In the framework of an explicitly correlated formulation of the electronic Schrödinger equation known as the transcorrelated method, this work addresses some fundamental issues concerning the feasibility of eigenfunction approximation by hyperbolic wavelet bases. Focusing on the two-electron case, the integrability of mixed weak derivatives of eigenfunctions of the modified problem and the improvement compared to the standard formulation are discussed. Elements of a discretization of the eigenvalue...

Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation

Markus Bachmayr — 2012

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

In the framework of an explicitly correlated formulation of the electronic Schrödinger equation known as the transcorrelated method, this work addresses some fundamental issues concerning the feasibility of eigenfunction approximation by hyperbolic wavelet bases. Focusing on the two-electron case, the integrability of mixed weak derivatives of eigenfunctions of the modified problem and the improvement compared to the standard formulation are discussed. Elements of a discretization of the eigenvalue...

Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation

Markus Bachmayr — 2012

ESAIM: Mathematical Modelling and Numerical Analysis

In the framework of an explicitly correlated formulation of the electronic Schrödinger equation known as the transcorrelated method, this work addresses some fundamental issues concerning the feasibility of eigenfunction approximation by hyperbolic wavelet bases. Focusing on the two-electron case, the integrability of mixed weak derivatives of eigenfunctions of the modified problem and the improvement compared to the standard formulation are discussed....

Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation

Markus Bachmayr — 2012

ESAIM: Mathematical Modelling and Numerical Analysis

In the framework of an explicitly correlated formulation of the electronic Schrödinger equation known as the transcorrelated method, this work addresses some fundamental issues concerning the feasibility of eigenfunction approximation by hyperbolic wavelet bases. Focusing on the two-electron case, the integrability of mixed weak derivatives of eigenfunctions of the modified problem and the improvement compared to the standard formulation are discussed....

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