Linear-Scaling Techniques in Computational Chemistry and Physics

Chapter 1 Plane-Wave Based Low-Scaling Electronic Structure Methods for Molecules

Chapter 2 Mathematical Formulation of the Fragment Molecular Orbital Method

Chapter 4 Perturbative Approximations to Avoid Matrix Diagonalization

Chapter 5 Divide-and-Conquer Approaches to Quantum Chemistry: Theory and Implementation

Chapter 6 Linear Scaling Methods Using Additive Fuzzy Density Fragmentation

Chapter 7 Fragmentation Selection Strategies in Linear Scaling Methods

Chapter 8 Linear-Scaling Techniques in Computational Chemistry and Physics

Chapter 9 Elongation Method: Towards Linear Scaling for Electronic Structure of Random Polymers and other Quasilinear Materials

Chapter 10 Molecular Tailoring: An Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters

Chapter 11 Some Thoughts on the Scope of Linear Scaling Self-Consistent Field Electronic Structure Methods

Chapter 12 Methods for Hartree-Fock and Density Functional Theory Electronic Structure Calculations with Linearly Scaling Processor Time and Memory Usage

Chapter 13 Cholesky Decomposition Techniques in Electronic Structure Theory

Chapter 14 Local Approximations for an Efficient and Accurate Treatment of Electron Correlation and Electron Excitations in Molecules

Chapter 15 The Linear Scaling Semiempirical LocalSCF Method and the Variational Finite LMO Approximation

Chapter 16 Density Matrix Methods in Linear Scaling Electronic Structure Theory

Chapter 17 Linear Scaling for Metallic Systems by the Korringa-Kohn-Rostoker Multiple-Scattering Method