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A computational procedure for obtaining the poles of a spherical harmonic of order N; Application to the multipole expansion of electrostatic interaction

✍ Scribed by Mihaly Mezei; Edwin S Campbell


Book ID
107788523
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
329 KB
Volume
20
Category
Article
ISSN
0021-9991

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Computations of intermolecular interacti
✍ N. Gresh; P. Claverie; A. Pullman 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 874 KB

## Abstract A procedure is given to derive an explicit charge‐transfer contribution from the Murrell–Randic–Williams formula, and to implement it in the framework of an additive procedure for the computation of intermolecular interaction energies, as a sum of electrostatic, repulsion, polarization,