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 Construction and Application of Sparse Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for Schroedinger' s Equation Sparse Grids for the Electronic Schroedinger Equation.
Наименование:

Construction and Application of Sparse Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for Schroedinger' s Equation Sparse Grids for the Electronic Schroedinger Equation.

автор Jan H. издательство Книга по Требованию Математический анализ. Кратные и криволинейные интегралы. Задачи, решения
Cтраниц 172        мягкая обложка       
Аннотация:However, any numerical solution of the electronic Schroedinger equation using conventional linear discretization schemes is not feasible due to its high dimensionality. In particular, the introduced formulation of the underlying particle-wise subspace splitting includes several decomposition schemes well known in different research fields. 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 product multiscale many-particle spaces with finite-order weights for the electronic Schoedinger equation. With the implementation of our approach, small atoms and molecules can be treated at very high accuracy. The successful numerical treatment of the electronic Schroedinger equation provides an effective predictive tool for new insights in several research areas like chemistry, biochemistry, molecular physics, material science and nanotechnology. This new variant of sparse grids combines the favorable properties of efficient Gaussian type orbitals basis sets and adaptive tensor product multiscale bases, which provide guaranteed convergence rates.
Автор: Jan H.
Издательство: Книга по Требованию
Год:2010
Цена:
3620 руб
Нет в наличии
Поиск: Construction and Application of Sparse Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for Schroedinger' s Equation Sparse Grids for the Electronic Schroedinger Equation.


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