Tensor Numerical Methods in Electronic Structure Calculations : Basic Algorithms and Applications.

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Khoromskaia, Venera
Otros Autores: Khoromskij, Boris
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin/Boston : De Gruyter, Inc., 2018.
Temas:
Calculus of tensors.
Tensor algebra.
Quantum chemistry.
Calcul tensoriel.
Algèbre tensorielle.
Chimie quantique.
Calculus of tensors
Quantum chemistry
Tensor algebra
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Intro; Contents; 1. Introduction; 2. Rank-structured formats for multidimensional tensors; 3. Rank-structured grid-based representations of functions in ℝd; 4. Multiplicative tensor formats in ℝd; 5. Multidimensional tensor-product convolution; 6. Tensor decomposition for analytic potentials; 7. The Hartree-Fock equation; 8. Multilevel grid-based tensor-structured HF solver; 9. Grid-based core Hamiltonian; 10. Tensor factorization of grid-based two-electron integrals; 11. Fast grid-based Hartree-Fock solver by factorized TEI
  • 12. Calculation of excitation energies of molecules13. Density of states for a class of rank-structured matrices; 14. Tensor-based summation of long-range potentials on finite 3D lattices; 15. Range-separated tensor format for many-particle systems; Bibliography; Index.

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