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Comment on: On the evaluation of potential parameters in fluorite-type AB2 crystals (1987)

Sharma, S. C. ; Kumar, M. ; Shanker, J.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 86 (1987), S. 1078-1079

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: Some errors are pointed out in the method of Singh et al. for calculating the potential parameters in fluorite-type AB2 crystals. It is found that the correction of these errors gives improved agreement between the calculated and experimental values of crystalline state properties. It has been shown that the agreement is further improved if one uses different values of hardness parameters for different pair interactions.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.452300

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