An Introduction and Overview of Basis Sets for Molecular and Solid-state Calculations.- Slater-type Orbitals.- Local Orbitals in Quantum Chemistry.- An introduction to discretization error analysis for computational chemists.- Basis Sets for Correlated Methods.- Gaussian Basis Sets for Solid State Calculations.- Basis Sets for Heavy Atoms.- Adaptable Gaussian Bases for Quantum Dynamics of the Nuclei.

Kategori: Bøger (usorteret)