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ubsuny / 23-Homework7G3

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Potential formula confusion #18

Closed reshnashrestha closed 10 months ago

reshnashrestha commented 10 months ago

The ion-ion potential in K.Michaelian paper is: image and the one found in the Compphys minmax is: image

and in the paper, the potential formula is referenced to: image For this homework, which formula should we follow?

pratibha77118 commented 10 months ago

@reshnashrestha have you got the answer for potential energy formula to be used. I think the formula are basically same, the only difference is that the negative ion include additional repulsive Pauli energy.

reshnashrestha commented 10 months ago

Yeah we should be using the one used in the CompPhys