Sparse Grids for the Electronic Schrödinger Equation
Jan Hamaekers
Broschiertes Buch

Sparse Grids for the Electronic Schrödinger Equation

Construction and Application of Sparse Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for Schrödinger's Equation

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The successful numerical treatment of the electronic Schrödinger equation provides an effective predictive tool for new insights in several research areas like chemistry, biochemistry, molecular physics, material science and nanotechnology. However, any numerical solution of the electronic Schrödinger equation using conventional linear discretization schemes is not feasible due to its high dimensionality. Therefore, typically nonlinear model approximations like Hartree-Fock, coupled cluster or density functional theory are used. In this work we construct, study and apply novel sparse tensor ...