Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory.

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JChemPhys_139_084117.pdf (883.36 KB)

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Author(s)

Corsini, NR

Greco, A

Hine, ND

Molteni, C

Haynes, PD

Type

Journal Article

Date Issued

2013-08-28

URI

http://hdl.handle.net/10044/1/12190

DOI

http://dx.doi.org/10.1063/1.4819132

Start Page

084117

Journal / Book Title

J Chem Phys

Volume

139

Issue

8

Copyright Statement

© Author(s) 2013. Attribution CC BY. This license lets others distribute, remix, tweak, and build upon your work, even commercially, as long as they credit you for the original creation. This is the most accommodating of licenses offered. Recommended for maximum dissemination and use of licensed materials.

License URL

https://creativecommons.org/licenses/by/4.0/

Description

18/09/13 meb. PDF version , Ok to add cc by license

Identifier

http://www.ncbi.nlm.nih.gov/pubmed/24006984