Shell model: Difference between revisions
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The '''shell model''' is a method for treating polarisable ions. | The '''shell model''' is a method for treating polarisable ions <ref>[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)]</ref>. | ||
==Relaxed shell model== | ==Relaxed shell model== | ||
In the relaxed shell model the shell has zero mass. | In the relaxed shell model the shell has zero mass. | ||
==Dynamical shell model== | ==Dynamical shell model== | ||
The dynamical shell model is also known as the adiabatic shell model. | The dynamical shell model is also known as the adiabatic shell model. | ||
<ref>[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)]</ref> | |||
<ref>[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)]</ref> | |||
==Breathing shell model== | ==Breathing shell model== | ||
<ref>[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)]</ref> | |||
==References== | ==References== | ||
<references/> | |||
[[category: models]] | [[category: models]] | ||
[[category: electrostatics]] | [[category: electrostatics]] | ||
Latest revision as of 18:03, 10 February 2010
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The shell model is a method for treating polarisable ions [1].
Relaxed shell model[edit]
In the relaxed shell model the shell has zero mass.
Dynamical shell model[edit]
The dynamical shell model is also known as the adiabatic shell model. [2] [3]
Breathing shell model[edit]
References[edit]
- ↑ 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)
- ↑ 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)
- ↑ U. Schröder "A new model for lattice dynamics ('breathing shell model')", Solid State Communications 4 pp. 347-349 (1966)