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diff --git a/source/know/concept/matsubara-summation/index.md b/source/know/concept/matsubara-summation/index.md new file mode 100644 index 0000000..de08024 --- /dev/null +++ b/source/know/concept/matsubara-summation/index.md @@ -0,0 +1,170 @@ +--- +title: "Matsubara summation" +sort_title: "Matsubara summation" +date: 2021-11-13 +categories: +- Physics +- Quantum mechanics +layout: "concept" +--- + +**Matsubara summation** is a technique for evaluating sums of the following form, +which notably appears as the inverse +[Fourier transform](/know/concept/fourier-transform/) of the +[Matsubara Green's function](/know/concept/matsubara-greens-function/): + +$$\begin{aligned} + \boxed{ + S_{B,F} + \equiv \frac{1}{\hbar \beta} \sum_{n = -\infty}^\infty g(i \omega_n) \: e^{i \omega_n \tau} + } +\end{aligned}$$ + +$$g(z)$$ is a *meromorphic* function on the complex frequency plane, +i.e. it is [holomorphic](/know/concept/holomorphic-function/) +except for a known set of simple poles, +and $$\tau \in \:]\!-\!\hbar \beta, \hbar \beta[$$ is a real parameter. +The Matsubara frequencies $$i \omega_n$$ are defined as follows +for bosons (subscript $$B$$) or fermions (subscript $$F$$): + +$$\begin{aligned} + \omega_n \equiv + \begin{cases} + \displaystyle\frac{2 n \pi}{\hbar \beta} + & \mathrm{bosons} + \\ + \displaystyle\frac{(2 n + 1) \pi}{\hbar \beta} + & \mathrm{fermions} + \end{cases} +\end{aligned}$$ + +How do we evaluate Matsubara sums? +Given a counter-clockwise closed contour $$C$$, +recall that the [residue theorem](/know/concept/residue-theorem/) +turns an integral over $$C$$ into a sum of the residues +of all the integrand's simple poles $$p_g$$ that are enclosed by $$C$$: + +$$\begin{aligned} + \oint_C \frac{g(z) \: e^{z \tau}}{i 2 \pi} \dd{z} + = \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \: e^{z \tau} \Big\} + = \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \Big\} \: e^{p_g \tau} +\end{aligned}$$ + +Now, the trick is to manipulate this relation +until a Matsubara sum appears on the right. + +Let us introduce a (for now) unspecified weight function $$h(z)$$, +which crucially does not share any simple poles with $$g(z)$$, +so $$\{p_g\} \cap \{p_h\} = \emptyset$$. +This constraint allows us to split the sum: + +$$\begin{aligned} + \oint_C \frac{g(z) \: h(z) \: e^{z \tau}}{i 2 \pi} \dd{z} + &= \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \: h(z) \: e^{z \tau} \Big\} + + \sum_{p_h} \underset{z \to p_h}{\mathrm{Res}}\Big\{ g(z) \: h(z) \: e^{z \tau} \Big\} + \\ + &= \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \Big\} \: h(p_g) \: e^{p_g \tau} + + \sum_{p_h} g(p_h) \: \underset{z \to p_h}{\mathrm{Res}}\Big\{ h(z) \Big\} \: e^{p_h \tau} +\end{aligned}$$ + +Here, we could make the rightmost term look like a Matsubara sum +if we choose $$h$$ such that it has poles at $$i \omega_n$$. +We make the following choice, +where $$n_B(z)$$ is the [Bose-Einstein distribution](/know/concept/bose-einstein-distribution/) for bosons, +and $$n_F(z)$$ is the [Fermi-Dirac distribution](/know/concept/fermi-dirac-distribution/) for fermions: + +$$\begin{aligned} + h(z) + \equiv + \begin{cases} + n_{B,F}(z) & \mathrm{if}\; 0 \le \tau < \hbar \beta + \\ + -n_{B,F}(-z) & \mathrm{if}\; \!-\!\hbar \beta < \tau \le 0 + \end{cases} +\end{aligned}$$ + +The distinction between the signs of $$\tau$$ is necessary +to ensure that $$h(z) \: e^{z \tau} \to 0$$ for all $$z$$ when $$|z| \to \infty$$ +(take a moment to convince yourself of this). +The sign flip for $$\tau \le 0$$ is also needed, +as negating the argument negates the residues +$$\mathrm{Res}\{ n_{B,F}(-i \omega_n) \} = -\mathrm{Res}\{ n_{B,F}(i \omega_n) \}$$. + +Indeed, this choice of $$h$$ has poles at the respective +Matsubara frequencies $$i \omega_n$$ of bosons and fermions, +and the residues are given by: + +$$\begin{aligned} + \underset{z \to i \omega_n}{\mathrm{Res}}\!\Big\{ n_B(z) \Big\} + &= \lim_{z \to i \omega_n}\!\bigg( \frac{z - i \omega_n}{e^{\hbar \beta z} - 1} \bigg) + = \lim_{\eta \to 0}\!\bigg( \frac{i \omega_n + \eta - i \omega_n}{e^{i \hbar \beta \omega_n} e^{\hbar \beta \eta} - 1} \bigg) + \\ + &= \lim_{\eta \to 0}\!\bigg( \frac{\eta}{e^{\hbar \beta \eta} - 1} \bigg) + = \lim_{\eta \to 0}\!\bigg( \frac{\eta}{1 + \hbar \beta \eta - 1} \bigg) + = \frac{1}{\hbar \beta} + \\ + \underset{z \to i \omega_n}{\mathrm{Res}}\!\Big\{ n_F(z) \Big\} + &= \lim_{z \to i \omega_n}\!\bigg( \frac{z - i \omega_n}{e^{\hbar \beta z} + 1} \bigg) + = \lim_{\eta \to 0}\!\bigg( \frac{i \omega_n + \eta - i \omega_n}{e^{i \hbar \beta \omega_n} e^{\hbar \beta \eta} + 1} \bigg) + \\ + &= \lim_{\eta \to 0}\!\bigg( \frac{\eta}{-e^{\hbar \beta \eta} + 1} \bigg) + = \lim_{\eta \to 0}\!\bigg( \frac{\eta}{- 1 - \hbar \beta \eta + 1} \bigg) + = - \frac{1}{\hbar \beta} +\end{aligned}$$ + +With this, our contour integral can now be rewritten as follows: + +$$\begin{aligned} + \oint_C \frac{g(z) \: h(z) \: e^{z \tau}}{i 2 \pi} \dd{z} + &= \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \Big\} \: n_{B,F}(p_g) \: e^{p_g \tau} + + \sum_{i \omega_n} g(i \omega_n) \underset{z \to i \omega_n}{\mathrm{Res}}\!\Big\{ n_{B,F}(z) \Big\} \: e^{i \omega_n \tau} + \\ + &= \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \Big\} \: n_{B,F}(p_g) \: e^{p_g \tau} + \pm \frac{1}{\hbar \beta} \sum_{n = -\infty}^\infty g(i \omega_n) \: e^{i \omega_n \tau} +\end{aligned}$$ + +Where the top sign ($$+$$) is for bosons, +and the bottom sign ($$-$$) is for fermions. +Here, we recognize the last term as the Matsubara sum $$S_{F,B}$$. +Isolating for that yields: + +$$\begin{aligned} + S_{B,F} + = \mp \sum_{p_g} \underset{z \to p_g}{\mathrm{Res}}\Big\{ g(z) \Big\} \: n_{B,F}(p_g) \: e^{p_g \tau} + \pm \oint_C \frac{g(z) \: h(z) \: e^{z \tau}}{i 2 \pi} \dd{z} +\end{aligned}$$ + +Now we must choose $$C$$. +Earlier, we took care that $$h(z) \: e^{z \tau} \to 0$$ for $$|z| \to \infty$$, +so a good choice would be a circle of radius $$R$$. +If $$R \to \infty$$, then $$C$$ encloses the whole complex plane, +including all of the integrand's poles. +However, because the integrand decays for $$|z| \to \infty$$, +we conclude that the contour integral must vanish +(also for other choices of $$C$$): + +$$\begin{aligned} + C + = R e^{i \theta} + \quad \implies \quad + \lim_{R \to \infty} + \oint_C g(z) \: h(z) \: e^{z \tau} \dd{z} + = 0 +\end{aligned}$$ + +We thus arrive at the following results +for bosonic and fermionic Matsubara sums $$S_{B,F}$$: + +$$\begin{aligned} + \boxed{ + S_{B,F} + = \mp \sum_{p_g} \underset{ {z \to p_g}}{\mathrm{Res}}\Big\{ g(z) \Big\} \: n_{B,F}(p_g) \: e^{p_g \tau} + } +\end{aligned}$$ + + + +## References +1. H. Bruus, K. Flensberg, + *Many-body quantum theory in condensed matter physics*, + 2016, Oxford. |
