The coeft?cIen ts of i7+ and R-O III the long-range expansion of the parallel and pet-pendlcular components of tie Af P olarlzablhty of a Parr of hydrogen atoms at a separation R have been calcula?ed The results are A [F) = 2.558 59. = 1268 25,A)(l")= 90639 5 XI~IA~)= 22010 3 XI The valuesof~~) and
Retardation in the atomic pair polarizability
β Scribed by L.G. Suttorp; M.A.J. Michels
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 316 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0009-2614
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Ab initio SCF MO energies and pair poiarizabiiities are reported for the pairs Li+/Li+and Cl-/Cl-over the ranges of internuclear separation which are of importance in molten LiCL The shapes of the @CR) curves resemble those of inert gas diatoms. The Cl-/Cl-interaction is predicted to make a rather s
Distributed atom-atom multipolar polarizabilities have been calculated at the coupled perturbed Hartree-Fock (CPHF) level, using Bader's topological theory to partition the molecular charge density into atomic domains. The proposed scheme applies without difficulty to molecules of arbitrary shape an