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

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Homework Help Overview

The discussion revolves around calculating the zero-point energy of diatomic hydrogen (H2) modeled as a particle in a box. Participants explore the implications of treating the molecule and its constituent particles in terms of quantum mechanics and energy conservation.

Discussion Character

  • Conceptual clarification, Assumption checking, Mixed

Approaches and Questions Raised

  • Participants discuss the possibility of calculating the zero-point energy as the sum of the energies of individual particles within the hydrogen molecule. There is also mention of the ground state energy and the implications of treating hydrogen as a Bose particle. Questions arise regarding the consideration of ortho-para equilibrium in these calculations.

Discussion Status

The discussion is ongoing, with participants exploring different interpretations of the zero-point energy and its calculations. Some guidance has been offered regarding the ortho-para equilibrium, but no consensus has been reached on the overall approach or calculations.

Contextual Notes

Participants are navigating the complexities of quantum mechanics and the specific characteristics of hydrogen molecules, including their particle behavior and energy states. The discussion reflects a need for clarity on the assumptions made in the calculations presented.

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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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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.
 
You may want to consider the "ortho-para" equilibrium for "ground state" calculations.
 
Bystander said:
You may want to consider the "ortho-para" equilibrium for "ground state" calculations.
Explain?
 

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