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Electrostatic Interactions in Finite Systems treated with Periodic Boundary Conditions: Application to Linear-Scaling Density Functional Theory (2011)

First Author: Hine N

Attributed to: Expanding the scope and scale of first-principles quantum-mechanical simulations with the ONETEP linear-scaling method on high performance computers funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1109.1970

Publication URI: https://arxiv.org/abs/1109.1970

Type: Other