"""Original spectrum of the equal-site, equal-edge cubic Hückel model.""" from pathlib import Path import matplotlib.pyplot as plt fig, ax = plt.subplots(figsize=(7, 4.4), dpi=150) for energy, count, label in [(-3,1,r"$a_1$"),(-1,3,r"$t_2$"),(1,3,r"$t_2$"),(3,1,r"$a_1$")]: for i in range(count): x = (i-(count-1)/2)*.7 ax.plot([x-.23,x+.23],[energy,energy],lw=2,color="#236e9c" if energy<0 else "#8d939a") if energy<0:ax.text(x,energy+.08,r"$\uparrow\downarrow$",ha="center",fontsize=17) ax.text(1.3,energy,label,ha="left",va="center",fontsize=14) ax.axhline(0,color="#b9bfc5",ls="--",lw=1) ax.set(xlim=(-1.7,2.2),ylim=(-3.8,3.8),xticks=[],yticks=[-3,-1,0,1,3], ylabel=r"$(E-\alpha)/|\beta|$, with $\beta<0$", title="Cubic cluster: eight valence electrons") ax.spines[["top","right","bottom"]].set_visible(False) fig.text(.5,.025,"One site orbital per vertex; coupling only along equal cube edges.",ha="center",fontsize=10) fig.tight_layout(rect=(0,.05,1,1)) fig.savefig(Path(__file__).with_suffix(".png").name,facecolor="white")