Kapitel IV 1 fertig
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kapIV-1.tex
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kapIV-1.tex
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\chapter{Variationsrechnung}
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\paragraph{Satz} Für nichtnormiertes $\ket{\psi} \in \hilbert$ gilt
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\begin{equation}
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\overline{H} = \frac{\dirac{\psi}{H}{\psi}}{\braket{\psi}{\psi}} \geq E
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\end{equation}
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\subparagraph{Beweis} $\ket{\psi}$ entwickeln:
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\begin{equation}
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\ket{\psi} = \sum_n a_n \ket{n}
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\end{equation}
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mit $H\ket{n} = E_n\ket{n}$
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\begin{equation}
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\overline{H} = \frac{\sum_{n=0}^N E_n \abs{\braket{n}{\psi}}^2}{\sum_{n=0}^N \abs{\braket{n}{\psi}}^2} = \frac{\sum_{n=0}^N \abs{\braket{n}{\psi}}^2 (E_n-E_0) + \sum_{n=0}^N E_0 \abs{\braket{n}{\psi}}^2}{\sum_{n=0}^N \abs{\braket{n}{\psi}}^2} \geq E_0
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\end{equation}
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\paragraph{Strategie} Parametrisieren von $\ket{\psi}$ mit Variationsparameter $\set{\alpha_i}$:
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\begin{align}
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\ket{\psi} = \ket{\psi \set{\alpha_i}}\\[15pt]
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\rightarrow \overline{H} = \overline{H} \left( \set{\alpha_i} \right)
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\end{align}
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und das Minimum suchen:
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\begin{equation}
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\diffPfrac{\overline{H}}{\alpha_i} \stackrel{!}{=} 0 \rightarrow \set{alpha_i^*}
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\end{equation}
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optimale Abschätzung:
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\begin{equation}
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\overline{H}\left(\set{\alpha_i^*}\right) \geq E_0
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\end{equation}
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Falls $\ket{\psi}$ nur wenig von $\ket{0}$ abweicht
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\begin{align}
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\ket{\psi} &= \ket{0} + \varepsilon \ket{\phi} \\
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\overline{H} &= E_0 + O(\varepsilon^2)
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\end{align}
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ist die Abschätzung der Energie besser als Näherung an $\ket{0}$.
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\paragraph{Beispiel}
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%\begin{figure}[H] \centering
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%\includegraphics{pdf/III/01-00-00.pdf}
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%\end{figure}
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\begin{align}
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\braket{x}{0} &= \frac{1}{\sqrt{a}} \cos\left(\frac{\pi}{2a}x\right)
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\end{align}
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Variationsansatz:
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\begin{align}
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\psi(\alpha,x) &= \abs{a}^{alpha_1} - \abs{x}^{\alpha_1}\\[15pt]
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\overline{H} &= \frac{\hbar^2}{2m} \intgr{-a}{+a}{\psi(\alpha,x)\psi(\alpha,x)}{x} \left( \intgr{-a}{+a}{\abs{\psi(x)}^2}{x} \right)^-1\\
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&= \frac{\hbar^2}{2m} \frac{1}{4a^2} \frac{(2\alpha_1 + 2)(2\alpha_1 + 1)}{(2\alpha_1 - 1)}
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\end{align}
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für $\diffPs{\alpha}\overline{H} = 0$ erhält man
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\begin{equation}
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\alpha_1^* = \frac{1+\sqrt{6}}{2} \approx 1,72 \text{ und } \overline{H}(\alpha_1^*) = 1,0028 \cdot E_0
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\end{equation}
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Nebenbemerkung: $\overline{H}(\alpha = 2) = 1,013 \cdot E_0$.\\
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Für dieses Verfahren gibt es vielfältigste Anwendungen und es ist nicht perturbativ (also Störungsfrei).
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