Summary of polarizabilities...
Dear netters,
A few days ago I posted a question on ionic polarizabilities. The original
message was:
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Dear All:
I need to know if there is any experimental (or good theoretical)
determination of the polarizability of ions in ionic crystals.
Specifically, I would like to know the polarizabilities of the
following anions:
F- Cl- Br- I- O-- S-- Se-- Te--
and of the following cations:
Li+ Na+ K+ Rb+ Cs+ Be++ Mg++ Ca++ Sr++ Ba++
in the stoichiometric crystals like LiCl or MgO (all possible
combinations), and in the "nonstoichiometric" crystals like
MgF_2 or Li_2O (also all the known combinations). I would like
to know also the polarizabilities of these ions in the
diatomic molecules.
Any help will be very appreciated. Of course, I will make a
summary of all the responses received. Thank in advance!!
Andres Aguado
aguado(-(at)-)jmlopez.fam.cie.uva.es
http:\\jmlopez.fam.cie.uva.es~aguado
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Thanks to all the people who responded!!! Below I give a list of references
on the subject:
Int.J.Quantum Chem.Quantum.Chem.Symp.29 (1995) 523
Chem.Phys. 59(1981) 341
van Dujen & Swart,J.Phys.Chem., in press
See the many papers by Pyper, Madden and Fowler. A recent one, from which
many previous papers can be traced, is J. Phys. Condens. Matter 9, 471.
Have a look at: P. C. Schmidt, A. Weiss, T. P. Das Phys.Rev.B. 1979, 19, 5525.
Regards, Martin Kaupp
David Feller, email:d3e102(-(at)-)emsl.pnl.gov, has calculated recently the
polarizabilities of Li+,Na+,K+,Rb+,Cs+,Mg2+,Ca2+,Sr2+,and Ba2+ cations with
MP ab initio methods. His results are near the complete basis set limit.
Contact him if you are interested.
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Best regards from Spain!!
Andres Aguado
aguado(-(at)-)jmlopez.fam.cie.uva.es
http:\\jmlopez.fam.cie.uva.es~aguado