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How to calculate the energy of the bonding state of a hydrogen molecule?

  • #1
How to calculate the energy of the bonding state and antibonding state of a hydrogen molecule? and also how to plot the bonding and antibonding wavefunctions.


I have solved Ψ(r,θ,Φ) for a hydrogen atom. and calculated the energy states of it with complete analytical approach. now, i need to know about hydrogen molecule. please prescribe me any book or link that provides the way to calculate the the energy states and wavefunctions of hydrogen molecule either anlytically or numerically.
 

Answers and Replies

  • #2
Average Bond Energy for H-H bond is - 436 kJ/mol

hence, the bonding energy state has an energy of

-{436*1000 / 6.02×1023}/1.602×10-19 electron volts/molecule
= - 4.52 eV
which is greater than -13.6

but bonding energy state must have lower than -13.6eV of energy. what's wrong with my concept?
 

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