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A representation of the polarization term in the interaction energy between a molecule and a point-like charge

✍ Scribed by Rosanna Bonaccorsi; Eolo Scrocco; Jacopo Tomasi

Publisher
Springer
Year
1976
Tongue
English
Weight
521 KB
Volume
43
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

On the representation of the interaction
On the representation of the interaction energy between two polar molecules
✍ Barua, A. K. ;Saran, Anil ;Singh, Yashwant πŸ“‚ Article πŸ“… 1968 πŸ› Springer 🌐 English βš– 304 KB

An attempt has been made to represent the interaction energy between two polar molecules by using an 'effective' relative orientation of tile pair of the colliding molecules. Calculations made for gaseous ammonia show fairly satisfactory results.

Interactions between molecules in the ne
Interactions between molecules in the neighborhood of a long linear molecule
✍ John E. Krizan; Brian F. Lloyd πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 306 KB

## Abstract The third‐order interaction between two nonpolar molecules due to the instantaneous induced dipole effect of an infinitely long linear molecule is assessed following arguments similar to earlier research on three‐body effects. It is found that an attractive force favors small polar angl

Calculation of the interaction energy in
Calculation of the interaction energy in a localized representation for a trimer (Ne3) system
✍ C. Kozmutza; E. Kapuy; E.M. Evleth πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 559 KB

We studied the transferability of the localized orbitals (LOs) of interacting Ne atoms using several basis sets. Both at SCF and at MP2 and MP3 levels, the contributions of the LOs have been calculated and discussed for the Nez and Ne, systems. It was shown that for the LOs the transferability is s