Help with a derivation from a paper (diatomic molecular potential)

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SUMMARY

The discussion focuses on deriving the expectation value of a variable, ##X(r)##, in the context of a diatomic molecular potential described by an anharmonic oscillator potential. The user seeks clarification on how to transition from equations 2, 4, and 5 to equation 6, as presented in the referenced paper. The potential is defined as a function of the distance between two masses, with ##r_e## representing the equilibrium separation. The user emphasizes the importance of understanding the Taylor expansion of ##X(r)## and its implications for the derivation.

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  • Understanding of diatomic molecular potentials
  • Familiarity with anharmonic oscillator potential
  • Knowledge of Taylor series expansions
  • Basic quantum mechanics concepts related to wavefunctions
NEXT STEPS
  • Study the derivation of expectation values in quantum mechanics
  • Learn about the properties of anharmonic oscillators in molecular systems
  • Explore Taylor series applications in quantum mechanics
  • Review the referenced paper for detailed methodologies and examples
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Students and researchers in quantum mechanics, particularly those focusing on molecular physics and potential energy surfaces, will benefit from this discussion.

Malamala
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Hello! I am confused about the derivation in the screenshot below. This is in the context of a diatomic molecular potential, but the question is quite general. Say that the potential describing the interaction between 2 masses, as a function of the radius between them is given by the anharmonic oscillator potential in eq 4., where ##r_e## is the equilibrium separation. What I need is to calculate the expectation value of a new variable, ##X(r)## in between 2 wavefunctions of such a potential, eq. 2 (please ignore eq. 3 and most of the comments in the paragraph after, as they are not related to my question). They Taylor expand ##X(r)## as in eq. 5 and then they claim that from there it follows that ##X_\nu## (eq. 2) is given by eq. 6. Can someone help me understand how to go from eq. 2, 4 and 5 to eq. 6? Thank you!
Screenshot 2023-06-06 at 1.35.40 PM.png
 
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Can you explain what is ##X(r)## and give a reference to the source from which you took the screenshot?
 
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