Static hyperpolarizability of the water dimer and the interaction hyperpolarizability of two water molecules
We report an extensive investigation of the electric dipole moment (μα), static polarizability (ααβ), and hyperpolarizability (βαβγ and γαβγδ) of the water dimer. Calculations were performed at both rigid and relaxed monomer geometries. At the rigid monomer geometry (RIMG), a very large [9s6p6d4f/6s...
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| Veröffentlicht in: | The Journal of chemical physics 2000-08, Vol.113 (5), p.1813-1820 |
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| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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