Zero-point energy of diatomic hydrogen (particle in a box)

In summary, the conversation discusses whether the zero-point energy of a hydrogen molecule in a box can be calculated by summing the zero-point energies of all its particles. The formula for calculating the zero-point energy of the molecule is provided, and it is suggested that the system is isolated and energy must be conserved. It is also mentioned that since hydrogen molecules are Bose particles, they all remain in the ground state for molecule motion and the ground state energy can be decomposed in a certain way. It is suggested to consider the "ortho-para" equilibrium for accurate calculations.
  • #1
Mayhem
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Homework Statement
Can the zero-point energy of diatomic hydrogen be calculated as a sum of the zero-point energies of all particles in the system?
Relevant Equations
##E_1 = h^2/8mL^2##
If we take ##H_2## as a "particle" in a box, can the zero-point energy of the overall molecule be calculated as the sum of the zero-point energies of all particles in ##H_2##?

That is $$E_ {1,H_2}=\frac{2h^2}{8m_{\mathrm{H^+}}L^2} + \frac{2h^2}{8m_{\mathrm{e^-}}L^2}= \frac{h^2}{4L^2}(1/m_{\mathrm{H^+}}+1/m_{\mathrm{e^-}})$$

My reasoning being that in our "ideal" box, the system is isolated, and thus energy must be conserved.
 
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  • #2
One hydrogen molecule, two protons and two electrons system, has its ground state for chemical bond.
Say hydrogen molecules are in a box, since they are Bose particles, all remain in the ground state for molecule motion.
The ground state energy of hydrogen molecules in a box seems to be decomposed like that.
 
  • #3
You may want to consider the "ortho-para" equilibrium for "ground state" calculations.
 
  • #4
Bystander said:
You may want to consider the "ortho-para" equilibrium for "ground state" calculations.
Explain?
 

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