Order-N first-principles calculations with the conquest code
- 31 July 2007
- journal article
- Published by Elsevier BV in Computer Physics Communications
- Vol. 177 (1-2), 14-18
- https://doi.org/10.1016/j.cpc.2007.02.075
Abstract
No abstract availableKeywords
This publication has 38 references indexed in Scilit:
- Density Functional and Density Matrix Method Scaling Linearly with the Number of AtomsPhysical Review Letters, 1996
- Self-consistent order-density-functional calculations for very large systemsPhysical Review B, 1996
- Linear-scaling density-functional-theory technique: The density-matrix approachPhysical Review B, 1996
- Total-energy global optimizations using nonorthogonal localized orbitalsPhysical Review B, 1995
- Self-consistent first-principles technique with linear scalingPhysical Review B, 1995
- Linear system-size scaling methods for electronic-structure calculationsPhysical Review B, 1995
- Unconstrained minimization approach for electronic computations that scales linearly with system sizePhysical Review B, 1993
- Orbital formulation for electronic-structure calculations with linear system-size scalingPhysical Review B, 1993
- Large scale electronic structure calculationsPhysical Review Letters, 1992
- Towards Very Large-Scale Electronic-Structure CalculationsEurophysics Letters, 1992