📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Accurate ionic forces and geometry optimisation in linear scaling density-functional theory with local orbitals (2011)

First Author: Hine N

Attributed to: Development of wide-ranging functionality in ONETEP funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1103.5869

Publication URI: https://arxiv.org/abs/1103.5869

Type: Other