7. The Hartree–Fock equation

Chapters in this book

1. Frontmatter I
2. Contents V
3. 1. Introduction 1
4. 2. Rank-structured formats for multidimensional tensors 9
5. 3. Rank-structured grid-based representations of functions in ℝ^d 37
6. 4. Multiplicative tensor formats in ℝ^d 79
7. 5. Multidimensional tensor-product convolution 87
8. 6. Tensor decomposition for analytic potentials 99
9. 7. The Hartree–Fock equation 105
10. 8. Multilevel grid-based tensor-structured HF solver 111
11. 9. Grid-based core Hamiltonian 129
12. 10. Tensor factorization of grid-based two-electron integrals 141
13. 11. Fast grid-based Hartree–Fock solver by factorized TEI 157
14. 12. Calculation of excitation energies of molecules 179
15. 13. Density of states for a class of rank-structured matrices 201
16. 14. Tensor-based summation of long-range potentials on finite 3D lattices 215
17. 15. Range-separated tensor format for many-particle systems 241
18. Bibliography 271
19. Index 287