1+ {
2+ "cells" : [
3+ {
4+ "cell_type" : " code"
5+ "execution_count" : null ,
6+ "metadata" : {},
7+ "outputs" : [],
8+ "source" : [
9+ " import numpy as np\n "
10+ " import matplotlib.pyplot as plt\n "
11+ " import scipy.linalg, scipy.integrate\n "
12+ " import do\n "
13+ " from IPython.display import display, clear_output\n "
14+ " from quantum_systems import ODQD, GeneralOrbitalSystem\n "
15+ " from matplotlib import animation\n "
16+ " %load_ext autoreload\n "
17+ " %autoreload 2"
18+ ]
19+ },
20+ {
21+ "cell_type" : " code"
22+ "execution_count" : null ,
23+ "metadata" : {},
24+ "outputs" : [],
25+ "source" : [
26+ " ### PARAMETERS ###\n "
27+ " l = 10 # Number of eigenstates of the HO potential --> we use these functions to generate the single particle WF\n "
28+ " grid_length = 10 # The width of the one-dimensional grid\n "
29+ " num_grid_points = 201 # The number of discretized points on the grid.\n "
30+ " alpha = 1 # The strength of the Coulomb interaction \n "
31+ " a = 0.25 # The shielding parameter in the Coulomb interaction potential\n "
32+ " Omega = 0.25 # The frequency of the harmonic oscillator trap\n "
33+ " omega = 8*Omega # frequency of the laser field\n "
34+ " epsilon0 = 1.0 # amplitude of the laser field\n "
35+ " nparticles = 2"
36+ ]
37+ },
38+ {
39+ "cell_type" : " code"
40+ "execution_count" : null ,
41+ "metadata" : {},
42+ "outputs" : [],
43+ "source" : [
44+ " # Create the system and solve the ground state problem and print total energy: GENERAL CALSE\n "
45+ " ghf = do.GHF()\n "
46+ " epsilon, C0, energy_per_step, delta_per_step = ghf.solve_TIHF(tolerance=1e-6, max_iter=100, eval_energy_per_step=False, eval_delta_per_step=False)\n "
47+ " print(ghf.eval_total_energy(C0))"
48+ ]
49+ },
50+ {
51+ "cell_type" : " code"
52+ "execution_count" : null ,
53+ "metadata" : {},
54+ "outputs" : [],
55+ "source" : [
56+ " # evaluate plot one-body density overlapped with the curve from the article: GENERAL CASE\n "
57+ " one_body_density = ghf.eval_one_body_density(C0)\n "
58+ " ghf.plot_one_body_density(one_body_density)"
59+ ]
60+ },
61+ {
62+ "cell_type" : " code"
63+ "execution_count" : null ,
64+ "metadata" : {},
65+ "outputs" : [],
66+ "source" : [
67+ " # time-evolution of the system with the laser source active\n "
68+ " C, time, overlap, dipole, energy = ghf.solve_TDHF(tstart=0, dt=1e-3, t_max=2*np.pi/ghf.Omega, C0=C0, eval_overlap=False, eval_dipole=False, eval_energy=False, laser_ON=True)"
69+ ]
70+ },
71+ {
72+ "cell_type" : " code"
73+ "execution_count" : null ,
74+ "metadata" : {},
75+ "outputs" : [],
76+ "source" : [
77+ " # Fourier analysis and plot of the results\n "
78+ " C2, time, dipole, overlap, xFFT, xfreqFFT, overlapFFT, overlapfreqFFT, energy = ghf.fourier_analysis(tolerance=1e-6, max_iter=100, t_laser_ON=10*np.pi, t_max=100*np.pi, dt=1e-3, eval_energy=False)\n "
79+ " ghf.plot_fourier_analysis(time, dipole, overlap, xFFT, xfreqFFT, overlapFFT, overlapfreqFFT)"
80+ ]
81+ },
82+ {
83+ "cell_type" : " code"
84+ "execution_count" : null ,
85+ "metadata" : {},
86+ "outputs" : [],
87+ "source" : [
88+ " # Create the system and solve the ground state problem and print total energy: RESTRICTED CASE\n "
89+ " rhf = do.RHF()\n "
90+ " epsilon, C0, energy_per_step, delta_per_step = rhf.solve_TIHF(tolerance=1e-6, max_iter=100, eval_energy_per_step=False, eval_delta_per_step=False)\n "
91+ " print(rhf.eval_total_energy(C0))"
92+ ]
93+ },
94+ {
95+ "cell_type" : " code"
96+ "execution_count" : null ,
97+ "metadata" : {},
98+ "outputs" : [],
99+ "source" : [
100+ " # evaluate plot one-body density overlapped with the curve from the article: RESTRICTED CASE\n "
101+ " one_body_density = rhf.eval_one_body_density(C0)\n "
102+ " rhf.plot_one_body_density(one_body_density)"
103+ ]
104+ }
105+ ],
106+ "metadata" : {
107+ "kernelspec" : {
108+ "name" : " python385jvsc74a57bd07c50efc9c5e7cd6763e801f6499f1b1d25a18b544a090ecb533edb37b15d92c1"
109+ "display_name" : " Python 3.8.5 64-bit ('base': conda)"
110+ },
111+ "language_info" : {
112+ "codemirror_mode" : {
113+ "name" : " ipython"
114+ "version" : 3
115+ },
116+ "file_extension" : " .py"
117+ "mimetype" : " text/x-python"
118+ "name" : " python"
119+ "nbconvert_exporter" : " python"
120+ "pygments_lexer" : " ipython3"
121+ "version" : " 3.8.5"
122+ }
123+ },
124+ "nbformat" : 4 ,
125+ "nbformat_minor" : 4
126+ }
0 commit comments