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Saturday, July 11, 2015

13. Example #3: The Harmonic Oscillator (Analytic Method)




Let us return to the Schrödinger equation for harmonic (quantum) oscillator from the previous section:
$-\frac{\hbar }{2m}\frac{{{d}^{2}}\psi }{d{{x}^{2}}}+\frac{1}{2}m{{\omega }^{2}}{{x}^{2}}\psi =E\psi $                                          (13.1)
In this section, we are going to solve this equation analytically. By introducing a dimensionless variable: $\xi =\sqrt{{}^{m\omega }/{}_{\hbar }}x$ into this equation, the Schrödinger equation (13.1) then reads:
$\frac{{{d}^{2}}\psi }{d{{\xi }^{2}}}=({{\xi }^{2}}-K)\psi $                                                 (13.2)
Here, $K={}^{2E}/{}_{\hbar \omega }$ is the energy, per units of $\left( {}^{1}/{}_{2} \right)\hbar \omega $.
For large ξ (large x), the Schrödinger equation (13.2) can be expressed:
$\frac{{{d}^{2}}\psi }{d{{\xi }^{2}}}-{{\xi }^{2}}\psi \approx 0$                                              (13.3)
And we are looking for a solution of this equation with ‘non-asymptotic behavior’, i.e. normalizable and no ‘blow up’ terms as |x| → ∞:
$\psi (\xi )\sim {{e}^{-{}^{{{\xi }^{2}}}/{}_{2}}}$                                               (13.4)
We assume a solution as follows:
$\psi (\xi )=h(\xi ){{e}^{-{}^{{{\xi }^{2}}}/{}_{2}}}$                                            (13.5)
Substituting this solution to the Schrödinger equation (13.2) and the equation becomes:
$\frac{{{d}^{2}}h}{d{{\xi }^{2}}}-2\xi \frac{dh}{d\xi }+(K-1)h=0$                                     (13.6)
This equation is the Hermite polynomials differential equation. According to Taylor’s theorem, any reasonably well-behaved function can be expressed as a power series. So, the proposed solution to equation (13.6) is in the form of a power series in ξ:
$h(\xi )={{a}_{0}}+{{a}_{1}}\xi +{{a}_{2}}{{\xi }^{2}}+...=\sum\limits_{j=0}^{\infty }{{{a}_{j}}{{\xi }^{j}}}$                               (13.7)
Differentiating equation (13.7), we have:
$\frac{dh}{d\xi }={{a}_{1}}+2{{a}_{2}}\xi +3{{a}_{3}}{{\xi }^{2}}+...=\sum\limits_{j=0}^{\infty }{j{{a}_{j}}{{\xi }^{j-1}}}$                         (13.8)
And the second order derivative of equation (13.7) is:
$\frac{{{d}^{2}}h}{d{{\xi }^{2}}}=2{{a}_{2}}+6{{a}_{3}}\xi +...=\sum\limits_{j=0}^{\infty }{(j+1)(j+2){{a}_{j+2}}{{\xi }^{j}}}$                               (13.9)
Substituting equations (13.7), (13.8) and (13.9) in (13.6), we find:
$\sum\limits_{j=0}^{\infty }{\left[ (j+1)(j+2){{a}_{j+2}}-2j{{a}_{j}}+(K-1){{a}_{j}} \right]}{{\xi }^{j}}=0$                             (13.10)
And hence, that:
${{a}_{j+2}}=\frac{2j-K+1}{(j+1)(j+2)}{{a}_{j}}$                                          (13.11)
Equation (13.11) is the recursion formula, this equation enables us to generate a2, a4, a6 … when a0 is given and it generates a3, a5, a7 … when a1 is given. For normalizable solutions, the power series must terminate at some ‘highest’ j (say, at n), such that an+2 = 0. Therefore, we must set equation (13.11) to zero for a certain n:
$2n+1-K=0$                                              (13.12)
Or,
$K=2n+1$                                                 (13.13)
And the allowed energy En, must be of the form:
  for n = 0,1,2,3,...                               (13.14)
For the allowed values of K, the recursion formula (13.11) becomes:
${{a}_{j+2}}=\frac{-2(n-j)}{(j+1)(j+2)}{{a}_{j}}$                                          (13.15)
In general, hn (ξ) will be a polynomial of degree n in ξ, involving even powers only if n is an even integer and odd powers only if n is an odd integer. For instance, by applying (13.15), if n = 0: h0 (ξ) = a0 and hence, ${{\psi }_{0}}(\xi )={{a}_{0}}{{e}^{-{{{\xi }^{2}}}/{2}\;}}$ . If n = 1: ${{h}_{1}}(\xi )={{a}_{1}}\xi $ and ${{\psi }_{1}}(\xi )={{a}_{1}}\xi {{e}^{{-{{\xi }^{2}}}/{2}\;}}$ . And so on.
Then, the normalized stationary states for the harmonic oscillator are:
${{\psi }_{n}}(x)={{\left( \frac{m\omega }{\pi \hbar } \right)}^{{1}/{4}\;}}\frac{1}{\sqrt{{{2}^{n}}n!}}{{H}_{n}}(\xi ){{e}^{-{{{\xi }^{2}}}/{2}\;}}$                                 (13.16)
Here, Hn (ξ) is the Hermite polynomials, which is generally formulated as follows:
${{H}_{n}}(\xi )={{(-1)}^{n}}{{e}^{{{\xi }^{2}}}}\left( \frac{{{d}^{n}}}{d{{\xi }^{n}}}{{e}^{-{{\xi }^{2}}}} \right)$ for n = 0, 1, 2, 3, …                           (13.17)





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