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Study of an F center in molten KCl

Authors: Parrinello, M.; Rahman, A.;

Study of an F center in molten KCl

Abstract

It is shown that a discretized version of Feynman's path integral provides a convenient tool for the numerical investigation of the properties of an electron solvated in molten KCl. The binding energy and the pair correlation functions are calculated. The local structure around the solute electron appears to be different from that of an F center in the solid.

Country
United States
Keywords

Numerical Solution, Binding Energy, Alkali Metal Compounds, Potassium Compounds, Halogen Compounds, Electrons, Potassium Chlorides, 38 Radiation Chemistry, Chlorides, Partition Functions, Information, Functions, Solvated Electrons, Feynman Path Integral, Fermions, Theoretical Data, Point Defects, Data, Fluids, Vacancies 400600* -- Radiation Chemistry, Energy, Radiochemistry, Mathematical Models, Liquids, Leptons, Crystal Defects, Halides, Numerical Data, F Centers, Crystal Structure, Color Centers, Integrals, Chlorine Compounds, And Nuclear Chemistry, Correlation Functions, Elementary Particles

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Related to Research communities
Energy Research