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What is "c" in the formula for potential energy? Is it the distance between Na and Cl ions? #41

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Pranjal-Srivastava-2023 opened this issue Nov 30, 2023 · 2 comments
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What is "c" in the formula for potential energy? Is it the distance between Na and Cl ions? #41

Pranjal-Srivastava-2023 opened this issue Nov 30, 2023 · 2 comments

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@Pranjal-Srivastava-2023
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@reshnashrestha
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a term to stabilize (or "regularize") the computation at small distances with:

$$b = 1.0;\mathrm{eV}$$

$$c = 0.01;\mathrm{nm}$$

@reshnashrestha reshnashrestha mentioned this issue Dec 1, 2023
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@pratibha77118
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Is it the constant term used for Pauli repulsive energy?

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@pratibha77118 @reshnashrestha @Pranjal-Srivastava-2023