Towards phase transferable potential functions: Methodology and application to nitrogen
نویسندگان
چکیده
منابع مشابه
Towards phase transferable potential functions: Methodology and application to nitrogen
We describe a generalizable approach to the development of phase transferable effective intermolecular potentials and apply the method to the study of N2 . The method is based on a polarizable shell model description of the isolated molecule and uses experimental data to establish the parameters. Consideration of the Ne dimer shows this to be a conceptual advance over point polarizability descr...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1995
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.469703