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http://bura.brunel.ac.uk/handle/2438/19562| Title: | The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations |
| Authors: | Fang, C Li, W-F Koster, RS Klimeš, J van Blaaderen, A van Huis, MA |
| Issue Date: | 31-Oct-2014 |
| Publisher: | Royal Society of Chemistry (RSC) |
| Citation: | Physical Chemistry Chemical Physics, 2015, 17 (1), pp. 365 - 375 |
| URI: | https://bura.brunel.ac.uk/handle/2438/19562 |
| DOI: | https://doi.org/10.1039/c4cp04202f |
| ISSN: | 1463-9076 |
| Appears in Collections: | Brunel Centre for Advanced Solidification Technology (BCAST) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Fulltext.pdf | 1.73 MB | Adobe PDF | View/Open |
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