Energy partitioning on intermolecular interactions: ab initio Monte Carlo study of water dimer
Ab initio Monte Carlo computations were carried out on H₂O dimer system. By introducing the energy partitioning scheme that we have developed recently, ab initio calculated H₂O–H₂O interaction can be analyzed from the viewpoint of atom-atom interaction. The electronic polarization caused by the in...
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| Date: | 2007 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2007
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/118894 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Energy partitioning on intermolecular interactions: ab initio Monte Carlo study of water dimer / T. Amano, H. Sato, S. Sakaki // Condensed Matter Physics. — 2007. — Т. 10, № 4(52). — С. 463-470. — Бібліогр.: 9 назв. — англ. |