Book contents
- Frontmatter
- Contents
- Preface
- List of symbols
- List of acronyms
- Part I Theory
- Part II Computational methods
- 6 Solving the electronic problem in practice
- 7 Atomic pseudopotentials
- 8 Basis sets
- 9 Electronic structure methods
- 10 Simplified approaches to the electronic problem
- 11 Diagonalization and electronic self-consistency
- 12 First-principles molecular dynamics (Car–Parrinello)
- Index
8 - Basis sets
from Part II - Computational methods
Published online by Cambridge University Press: 29 May 2010
Book contents
- Frontmatter
- Contents
- Preface
- List of symbols
- List of acronyms
- Part I Theory
- Part II Computational methods
- 6 Solving the electronic problem in practice
- 7 Atomic pseudopotentials
- 8 Basis sets
- 9 Electronic structure methods
- 10 Simplified approaches to the electronic problem
- 11 Diagonalization and electronic self-consistency
- 12 First-principles molecular dynamics (Car–Parrinello)
- Index
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- Electronic Structure Calculations for Solids and MoleculesTheory and Computational Methods, pp. 178 - 216Publisher: Cambridge University PressPrint publication year: 2006