Linear-Scaling Techniques in Computational Chemistry and Physics Methods and Applications
Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide...
| Other Authors: | , , , |
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| Format: | eBook |
| Language: | English |
| Published: |
Dordrecht
Springer Netherlands
2011, 2011
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| Edition: | 1st ed. 2011 |
| Series: | Challenges and Advances in Computational Chemistry and Physics
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| Subjects: | |
| Online Access: | |
| Collection: | Springer eBooks 2005- - Collection details see MPG.ReNa |
Table of Contents:
- Including chapters on: Linear scaling second order Møller Plesset perturbation theory
- Divide-and-conquer approaches to quantum chemistry: Theory and implementation
- Mathematical formulation of the fragment molecular orbital method
- Linear scaling for metallic systems by the Korringa-Kohn-Rostoker multiple-scattering method
- Density matrix methods in linear scaling electronic structure theory
- Methods for Hartree-Fock and density functional theory electronic structure calculations with linearly scaling processor time and memory usage
- Some thoughts on the scope of the linear scaling self-consistent field electrnic structure methods
- The linear scaling semiempirical localSCF method and the finite LMO approximation
- Molecular Tailoring: an Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters
- Local approximations for an efficient treatment of electron correlation and electron excitations in molecules