Expressing phase space differential in terms of COM

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SUMMARY

The discussion focuses on deriving the grand canonical partition function for a gas of diatomic molecules with identical atoms, using the Hamiltonian defined as $$H=\dfrac{\vec{p_1}\cdot\vec{p_1}}{2m}+\dfrac{\vec{p_2}\cdot\vec{p_2}}{2m}+\dfrac{K}{2}(\vec{r_1}-\vec{r_2})\cdot(\vec{r_1}-\vec{r_2})$$. The solution involves expressing momenta in terms of center of mass (COM) coordinates and relative coordinates, specifically $$R=(r_1+r_2)/2$$ and $$r=r_1-r_2$$. The Hamiltonian is reformulated as H(r,R) = -ħ²/(2M)(∂²/∂R²) - ħ²/(2μ)(∂²/∂r²) + K/2(r⋅r), where M = m1 + m2 and μ=(m1m2)/(m1 + m2).

PREREQUISITES
  • Understanding of Hamiltonian mechanics
  • Familiarity with statistical mechanics concepts, particularly partition functions
  • Knowledge of center of mass and relative coordinates
  • Basic proficiency in calculus, specifically partial derivatives
NEXT STEPS
  • Study the derivation of the grand canonical partition function in statistical mechanics
  • Learn about the implications of center of mass and relative coordinates in multi-particle systems
  • Explore Hamiltonian dynamics and its applications in molecular systems
  • Investigate the role of the reduced mass in two-body problems
USEFUL FOR

Students and researchers in physics, particularly those focusing on statistical mechanics, molecular dynamics, and Hamiltonian systems. This discussion is beneficial for anyone looking to deepen their understanding of partition functions and molecular interactions.

ghostfolk
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Homework Statement


The Hamiltonian for a single diatomic molecule of identical atoms is given as $$H=\dfrac{\vec{p_1}\cdot\vec{p_1}}{2m}+\dfrac{\vec{p_2}\cdot\vec{p_2}}{2m}+\dfrac{K}{2}(\vec{r_1}-\vec{r_2})\cdot(\vec{r_1}-\vec{r_2})$$. Find the grand canonical partition function for a gas of such molecules, neglecting the interactions between molecules.

2. Homework Equations

$$Z=\dfrac{1}{N!}\int\dfrac{d^3p_id^3x_i}{h}e^{-\beta H}$$

The Attempt at a Solution


I know that if we can express the momenta in terms of the center of mass coordinates and the relative coordinates, $$R=(r_1+r_2)/2$$ and $$r=r_1-r_2$$. However I am not sure how to express the differential in terms of the center of mass and relative coordinates.
 
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You have the relative coordinate r = r1-r2 and the COM coordinate R = (r1m1 + r2m2)/(m1+m2). It's easy to show that:
∂ /∂r1 = m1/(m1+m2)∂ /∂R + ∂ /∂r and
∂ /∂r2 = m2/(m1+m2)∂ /∂R - ∂ /∂r.
The Hamiltonian becomes
H(r,R) = -ħ2/(2M)(∂2 /∂R2 )- ħ2/(2μ))(∂2 /∂r2) + K/2(r⋅r)
where M = m1+ m2 and μ=(m1m2)/(m1+ m2).
 

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