/dipolar-droplets

Contains code for the study of Dy dipolar droplets with the combination of QMC and DFT techniques.

Primary LanguageJupyter Notebook

Dipolar Droplets

Contains code for the study of Dy dipolar droplets with the combination of QMC and DFT techniques.

Description of notebooks

These notebooks are conceptually ordered in the following way:

  • Notebook derivation_of_variational_energy.ipynb contains the code for the mathematical derivation necessary for the project, using sympy.
  • Notebook critical_atom_number.ipynb contains the code for the calculation of the critical atom number for the formation of a dipolar droplet.
  • Notebook analyze-density-range.ipynb contains code to analyze the dependence of $N_c$, $\beta$ and $\gamma$ on the lower and upper density range of the QMC fits. It calculates the mean $N_c$ for a given density range and the standard deviation of $N_c$ for a given density range. The outputs are files that end with *functionals_E_N_average_std.dat.
  • Notebook beta-gamma-fit-vs-a_s.ipynb contains the code for the fit of beta and gamma vs $a_s$. This is the final notebook where the plot of critical atom number is made. In this notebook, I compare the $N_c$ obtained from the fit of beta and gamma with the actual evaluations of $N_c$ from the critical_atom_number.ipynb notebook.

Folders

  • Folder energies-qmc contains the energies of the QMC calculations for the different atom numbers.
  • Folder experimental-data contains the experimental data for the critical atom number.