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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 symmetry algebra and conserved Currents for Klein-Gordon equation on quantum Minkowski space

MaŁgorzata Klimek (1997)

Banach Center Publications

The symmetry operators for Klein-Gordon equation on quantum Minkowski space are derived and their algebra is studied. The explicit form of the Leibniz rules for derivatives and variables for the case Z=0 is given. It is applied then with symmetry operators to the construction of the conservation law and the explicit form of conserved currents for Klein-Gordon equation.

The time-dependent Born-Oppenheimer approximation

Gianluca Panati, Herbert Spohn, Stefan Teufel (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

We explain why the conventional argument for deriving the time-dependent Born-Oppenheimer approximation is incomplete and review recent mathematical results, which clarify the situation and at the same time provide a systematic scheme for higher order corrections. We also present a new elementary derivation of the correct second-order time-dependent Born-Oppenheimer approximation and discuss as applications the dynamics near a conical intersection of potential surfaces and reactive scattering.

Theory and numerical approximations for a nonlinear 1 + 1 Dirac system

Nikolaos Bournaveas, Georgios E. Zouraris (2012)

ESAIM: Mathematical Modelling and Numerical Analysis

We consider a nonlinear Dirac system in one space dimension with periodic boundary conditions. First, we discuss questions on the existence and uniqueness of the solution. Then, we propose an implicit-explicit finite difference method for its approximation, proving optimal order a priori error estimates in various discrete norms and showing results from numerical experiments.

Theory and numerical approximations for a nonlinear 1 + 1 Dirac system

Nikolaos Bournaveas, Georgios E. Zouraris (2012)

ESAIM: Mathematical Modelling and Numerical Analysis

We consider a nonlinear Dirac system in one space dimension with periodic boundary conditions. First, we discuss questions on the existence and uniqueness of the solution. Then, we propose an implicit-explicit finite difference method for its approximation, proving optimal order a priori error estimates in various discrete norms and showing results from numerical experiments.

Transfer of conditions for singular boundary value problems

Petr Přikryl, Jiří Taufer, Emil Vitásek (1989)

Aplikace matematiky

Numerical solution of linear boundary value problems for ordinary differential equations by the method of transfer of conditions consists in replacing the problem under consideration by a sequence of initial value problems. The method of transfer for systems of equations of the first order with Lebesque integrable coefficients was studied by one of the authors before. The purpose of this paper is to extend the idea of the transfer of conditions to singular boundary value problems for a linear second-order...

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