Shell model: Difference between revisions
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#[http://dx.doi.org/10.1088/0953-8984/5/8/005 P J D Lindan and M J Gillan "Shell-model molecular dynamics simulation of superionic conduction in CaF2", Journal of Physics Condensed Matter '''5''' pp. 1019-1030 (1993)] | #[http://dx.doi.org/10.1088/0953-8984/5/8/005 P J D Lindan and M J Gillan "Shell-model molecular dynamics simulation of superionic conduction in CaF2", Journal of Physics Condensed Matter '''5''' pp. 1019-1030 (1993)] | ||
#[http://dx.doi.org/10.1088/0953-8984/5/8/006 P J Mitchell and D Fincham "Shell model simulations by adiabatic dynamics", Journal of Physics Condensed Matter '''5''' pp. 1031-1038 (1993)] | #[http://dx.doi.org/10.1088/0953-8984/5/8/006 P J Mitchell and D Fincham "Shell model simulations by adiabatic dynamics", Journal of Physics Condensed Matter '''5''' pp. 1031-1038 (1993)] | ||
==Breathing shell model== | |||
====References==== | |||
#[http://dx.doi.org/10.1016/0038-1098(66)90185-2 U. Schröder "A new model for lattice dynamics ('breathing shell model')", Solid State Communications '''4''' pp. 347-349 (1966)] | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1016/0375-9601(74)90911-6 G. Jacucci, I. R. McDonald and K. Singer "Introduction of the shell model of ionic polarizability into molecular dynamics calculations", Physics Letters A '''50''' pp. 141-143 (1974)] | #[http://dx.doi.org/10.1016/0375-9601(74)90911-6 G. Jacucci, I. R. McDonald and K. Singer "Introduction of the shell model of ionic polarizability into molecular dynamics calculations", Physics Letters A '''50''' pp. 141-143 (1974)] | ||
[[category: models]] | [[category: models]] | ||
[[category: electrostatics]] | [[category: electrostatics]] | ||
Revision as of 18:02, 15 January 2008
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The shell model is a method for treating polarisable ions.
Relaxed shell model
In the relaxed shell model the shell has zero mass.
References
Dynamical shell model
The dynamical shell model is also known as the adiabatic shell model.
References
- P J D Lindan and M J Gillan "Shell-model molecular dynamics simulation of superionic conduction in CaF2", Journal of Physics Condensed Matter 5 pp. 1019-1030 (1993)
- P J Mitchell and D Fincham "Shell model simulations by adiabatic dynamics", Journal of Physics Condensed Matter 5 pp. 1031-1038 (1993)