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The continuous Coupled Cluster formulation for the electronic Schrödinger equation

Thorsten Rohwedder (2013)

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

Nowadays, the Coupled Cluster (CC) method is the probably most widely used high precision method for the solution of the main equation of electronic structure calculation, the stationary electronic Schrödinger equation. Traditionally, the equations of CC are formulated as a nonlinear approximation of a Galerkin solution of the electronic Schrödinger equation, i.e. within a given discrete subspace. Unfortunately, this concept prohibits the direct application of concepts of nonlinear numerical analysis...

The form boundedness criterion for the relativistic Schrödinger operator

Vladimir Maz'ya, Igor Verbitsky (2004)

Annales de l’institut Fourier

We establish necessary and sufficient conditions on the real- or complex-valued potential Q defined on n for the relativistic Schrödinger operator - Δ + Q to be bounded as an operator from the Sobolev space W 2 1 / 2 ( n ) to its dual W 2 - 1 / 2 ( n ) .

The level crossing problem in semi-classical analysis I. The symmetric case

Yves Colin de Verdière (2003)

Annales de l’institut Fourier

We describe a microlocal normal form for a symmetric system of pseudo-differential equations whose principal symbol is a real symmetric matrix with a generic crossing of eigenvalues. We use it in order to give a precise description of the microlocal solutions.

The level crossing problem in semi-classical analysis. II. The Hermitian case

Yves Colin de Verdière (2004)

Annales de l’institut Fourier

This paper is the second part of the paper ``The level crossing problem in semi-classical analysis I. The symmetric case''(Annales de l'Institut Fourier in honor of Frédéric Pham). We consider here the case where the dispersion matrix is complex Hermitian.

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