Question

(a) Given $\int_{-\infty}^{+\infty} \exp \left(-\alpha x^2\right) d x=\sqrt{\pi / \alpha}$, show that $$ \int_{-\infty}^{\infty} x^2 e^{-\alpha x^2} d x=\frac{\sqrt{\pi}}{2} \alpha^{-3 / 2}, \quad \int_{-\infty}^{\infty} x^4 e^{-\alpha x^2} d x=\frac{3}{4} \sqrt{\pi} \alpha^{-5 / 2} . $$ (b) Given that $\frac{\beta}{\sqrt{\alpha}} \ll 1$ and that $a$ is of the order of $\frac{1}{\sqrt{\alpha}}$, show $$ \int_{-a}^a f(x) e^{-\alpha\left[x^2+\beta x^3 \mid\right.} d x \approx \int_{-a}^a f(x)\left(1-\alpha \beta x^3\right) e^{-\alpha x^2} d x . $$ (c) Two atoms interact through a potential $$ U(x)=U_0\left[\left(\frac{a}{x}\right)^{12}-2\left(\frac{a}{x}\right)^6\right], $$ where $x$ is their separation. Sketch this potential. Calculate the value of $x$ for which $U(x)$ is minimum. (d) Given a row of such atoms constrained to move only on the $x$ axis, each assumed to interact only with its nearest neighbors, use classical statistical mechanics to calculate the mean interatomic separation $\bar{x}(T)$. To do this, expand $U$ about its minimum, keeping as many terms as necessary to obtain the lowest order temperature dependence of $\bar{x}(T)$. Assume that $k T \ll U_0$, and in the relevant integrals extend the limits of integration to $\pm \infty$ where appropriate. Explain clearly the justification for extending the limits. Also calculate FIGURE CAN'T COPY.

   (a) Given $\int_{-\infty}^{+\infty} \exp \left(-\alpha x^2\right) d x=\sqrt{\pi / \alpha}$, show that
$$
\int_{-\infty}^{\infty} x^2 e^{-\alpha x^2} d x=\frac{\sqrt{\pi}}{2} \alpha^{-3 / 2}, \quad \int_{-\infty}^{\infty} x^4 e^{-\alpha x^2} d x=\frac{3}{4} \sqrt{\pi} \alpha^{-5 / 2} .
$$
(b) Given that $\frac{\beta}{\sqrt{\alpha}} \ll 1$ and that $a$ is of the order of $\frac{1}{\sqrt{\alpha}}$, show
$$
\int_{-a}^a f(x) e^{-\alpha\left[x^2+\beta x^3 \mid\right.} d x \approx \int_{-a}^a f(x)\left(1-\alpha \beta x^3\right) e^{-\alpha x^2} d x .
$$
(c) Two atoms interact through a potential
$$
U(x)=U_0\left[\left(\frac{a}{x}\right)^{12}-2\left(\frac{a}{x}\right)^6\right],
$$
where $x$ is their separation. Sketch this potential. Calculate the value of $x$ for which $U(x)$ is minimum.
(d) Given a row of such atoms constrained to move only on the $x$ axis, each assumed to interact only with its nearest neighbors, use classical statistical mechanics to calculate the mean interatomic separation $\bar{x}(T)$.

To do this, expand $U$ about its minimum, keeping as many terms as necessary to obtain the lowest order temperature dependence of $\bar{x}(T)$. Assume that $k T \ll U_0$, and in the relevant integrals extend the limits of integration to $\pm \infty$ where appropriate. Explain clearly the justification for extending the limits. Also calculate
FIGURE CAN'T COPY.
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Problems and Solutions on Thermodynamics and Statistical Mechanics
Problems and Solutions on Thermodynamics and Statistical Mechanics
U.S.T. of China… 1st Edition
Chapter 2, Problem 147 ↓

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\] We will use integration by parts to find the integrals \(\int_{-\infty}^{\infty} x^2 e^{-\alpha x^2} \, dx\) and \(\int_{-\infty}^{\infty} x^4 e^{-\alpha x^2} \, dx\).  Show more…

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(a) Given $\int_{-\infty}^{+\infty} \exp \left(-\alpha x^2\right) d x=\sqrt{\pi / \alpha}$, show that $$ \int_{-\infty}^{\infty} x^2 e^{-\alpha x^2} d x=\frac{\sqrt{\pi}}{2} \alpha^{-3 / 2}, \quad \int_{-\infty}^{\infty} x^4 e^{-\alpha x^2} d x=\frac{3}{4} \sqrt{\pi} \alpha^{-5 / 2} . $$ (b) Given that $\frac{\beta}{\sqrt{\alpha}} \ll 1$ and that $a$ is of the order of $\frac{1}{\sqrt{\alpha}}$, show $$ \int_{-a}^a f(x) e^{-\alpha\left[x^2+\beta x^3 \mid\right.} d x \approx \int_{-a}^a f(x)\left(1-\alpha \beta x^3\right) e^{-\alpha x^2} d x . $$ (c) Two atoms interact through a potential $$ U(x)=U_0\left[\left(\frac{a}{x}\right)^{12}-2\left(\frac{a}{x}\right)^6\right], $$ where $x$ is their separation. Sketch this potential. Calculate the value of $x$ for which $U(x)$ is minimum. (d) Given a row of such atoms constrained to move only on the $x$ axis, each assumed to interact only with its nearest neighbors, use classical statistical mechanics to calculate the mean interatomic separation $\bar{x}(T)$. To do this, expand $U$ about its minimum, keeping as many terms as necessary to obtain the lowest order temperature dependence of $\bar{x}(T)$. Assume that $k T \ll U_0$, and in the relevant integrals extend the limits of integration to $\pm \infty$ where appropriate. Explain clearly the justification for extending the limits. Also calculate FIGURE CAN'T COPY.
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Key Concepts

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Justification for Extending Integration Limits
Extending the limits of integration to infinity in approximations is justified when the integrand is sharply peaked around the equilibrium point, so that contributions from far away are negligible. This is particularly valid in low-temperature regimes (kT much smaller than the characteristic potential energy), where thermal fluctuations are confined to a region where the harmonic approximation holds, ensuring that errors introduced by this extension are minimal.
Gaussian Integrals and Differentiation Under the Integral Sign
Gaussian integrals are fundamental in many areas of mathematics and physics, particularly when evaluating integrals of exponential functions with quadratic exponents. Differentiating a Gaussian integral with respect to its parameter is a powerful technique for obtaining integrals weighted by powers of the variable. This method enables one to compute moments (such as x² or x?) of the Gaussian distribution, which is essential in probability theory, statistical mechanics, and quantum mechanics.
Perturbation and Series Expansion Techniques
Perturbation theory involves expanding a function or integrand in terms of a small parameter, so that only the leading terms need to be retained for an approximate solution. Series expansion, often in powers of a small parameter, simplifies complex expressions and is widely used in many fields of physics and mathematics to solve problems approximately, especially when exact solutions are not feasible.
Potential Energy Minimization and Analysis
Analyzing a potential energy function to find its minimum involves setting the derivative equal to zero and solving for the corresponding variable. Identifying the minimum of a potential energy curve is crucial in understanding the equilibrium states of a system. This technique is central in classical mechanics, chemistry, and materials science where the stability of molecular configurations or atomic arrangements is studied.
Harmonic Approximation Around Equilibrium
Near the minimum of a potential energy function, the behavior of the system can often be approximated by a quadratic (harmonic) potential. This approximation, known as the harmonic or quadratic approximation, simplifies the analysis of small oscillations about the equilibrium position. It is widely used in the study of molecular vibrations, phonons in solids, and various problems in classical and quantum statistical mechanics.
Statistical Mechanics and Ensemble Averaging
In classical statistical mechanics, thermodynamic properties are obtained by averaging over all configurations weighted by the Boltzmann factor. Evaluating integrals with the Boltzmann distribution, especially when temperature is low compared to energy scales in the system, typically involves approximations like expanding the potential and extending the limits of integration. This approach allows one to compute quantities like the mean interatomic separation and other thermal averages, providing insight into the macroscopic behavior of the system.

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