Dispersion Corrections at Planar Surfaces
When simulating a molecular system, a cutoff distance for interactions is often used to speed up the simulations. This is made at the cost of neglecting some interactions which will lead to inaccurate results for energy, pressure components and surface tension (for systems with surfaces). To compens...
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| Format: | Others |
| Language: | English |
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KTH, Teoretisk biologisk fysik
2016
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-187462 http://nbn-resolving.de/urn:isbn:978-91-7729-037-7 |