qmc-lttc/plot_hydrogen.py

import numpy as np
import matplotlib.pyplot as plt

from hydrogen import e_loc

x=np.linspace(-5,5)
plt.figure(figsize=(10,5))

for a in [0.1, 0.2, 0.5, 1., 1.5, 2.]:
  y=np.array([ e_loc(a, np.array([t,0.,0.]) ) for t in x])
  plt.plot(x,y,label=f"a={a}")
  
plt.tight_layout()
plt.legend()
plt.savefig("plot_py.png")