Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2347713
Reference34 articles.
1. Achieving Linear Scaling for the Electronic Quantum Coulomb Problem
2. The continuous fast multipole method
3. An algorithm for 3D numerical integration that scales linearly with the size of the molecule
4. Achieving linear scaling in exchange-correlation density functional quadratures
5. Linear scaling density functional calculations via the continuous fast multipole method
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