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Ab initio molecular dynamics study of collective excitations in liquid H₂O and D₂O: Effect of dispersion corrections
The collective dynamics in liquid water is an active research topic experimentally, theoretically and via simulations. Here, ab initio molecular dynamics simulations are reported in heavy and ordinary water at temperature 323.15 K, or 50oC. The simulations in heavy water were performed both with and...
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| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2016
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/155810 |
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