13.07.2015 Views

PhD thesis in English

PhD thesis in English

PhD thesis in English

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

of the ground state. Imag<strong>in</strong>ary-time propagation does not preserve the norm ofthe state, and we have to renormalize the state manually after each iteration step.Therefore, it is obvious that after certa<strong>in</strong> time τ, the contribution of higher stateswill be negligible, and thus we will arrive at the result given by Eq. (A.2). Asimilar reason<strong>in</strong>g is valid also for nonl<strong>in</strong>ear systems, hence <strong>in</strong> the case of the GPequation we apply the transformation (A.1) and use imag<strong>in</strong>ary-time propagation tof<strong>in</strong>d the stationary states. From the numerical side, imag<strong>in</strong>ary-time and real-timepropagation can be implemented <strong>in</strong> a very similar manner, and we briefly presentonly the details of numerical implementation of the real-time propagation.To simplify the expression for the Laplacian <strong>in</strong> a spherically-symmetric case, wefirst apply a commonly used rescal<strong>in</strong>g:φ(r, t) =ψ(r, t)r, (A.4)and transform the spherically-symmetric GP equation <strong>in</strong>to its simplified form:∂φ(r, t)i∂t[= − 1 ∂ 22 ∂r + 1 2 2 r2 + g∣φ(r, t)r] ∣ φ(r, t) . (A.5)∣2Next, we split the propagation <strong>in</strong>to two steps, which correspond to the two parts ofEq. (A.5):∂φ(r, t)i∂t∂φ(r, t)i∂t=[12 r2 + g∂ 2∣φ(r, t)r= − 1 2 ∂r2φ(r, t) .(A.7)] ∣ φ(r, t) , (A.6)∣2This is the split-step approximation, valid for the short propagation time. It ismotivated by a possibility to treat each of the two previous equations <strong>in</strong> a speciallysuited way: the first equation deals with the part of the Hamiltonian which isdiagonal <strong>in</strong> the coord<strong>in</strong>ate space, while the second equation considers the k<strong>in</strong>eticterm. To perform the time discretization, we <strong>in</strong>troduce the <strong>in</strong>dex n, which countsthe time slices φ(r, t) ≡ φ n (r), where t = nε, and ε is a discrete time-step of thepropagation. Accord<strong>in</strong>g to Eqs. (A.6) and (A.7), there are two different steps to beperformed for one time-step, <strong>in</strong> the propagation from t to t + ε. Correspond<strong>in</strong>gly,we <strong>in</strong>troduce the notation φ n+1/2 (r), which is the value of the wavefunction after the138

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!