Improved Fermi operator expansion methods for fast electronic structure calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1590632
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1. Kernel Polynomial Approximations for Densities of States and Spectral Functions
2. Efficient Linear Scaling Algorithm for Tight-Binding Molecular Dynamics
3. Direct optimization of the AO density matrix in Hartree–Fock and Kohn–Sham theories
4. Linear-scaling tight binding from a truncated-moment approach
5. DENSITIES OF STATES OF MEGA-DIMENSIONAL HAMILTONIAN MATRICES
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