Compute the potential energy between two electrons that are positioned 1Å apart, in (a) atomic units...

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Compute the potential energy between two electrons that are positioned 1Å apart, in (a) atomic units and (b) kcal/mol. [Note: The atomic unit for energy is a Hartree, which is typically given the symbol ??h. One Hartree is equivalent to XXXXXXXXXXkcal/mol.] (c) In kcal/mol, approximately how large is a typical chemical bond energy?

Robert · Accepted Answer

(a) The potential energy between two charges is given by the following formula 
PE = KQq/r 
Where K= Coulomb’s constant 
Q and q are the two charges and r is the distance separating them 
In atomic units, k =1, charge on electron = 1 and also given distance is also 1 
Hence, PE = 1*1*1/1 = 1 Hartree
(b) It is given that I hartree = 627.

Compute the potential energy between two electrons that are positioned 1Å apart, in (a) atomic units and (b) kcal/mol. [Note: The atomic unit for energy is a Hartree, which is typically given the...

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