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Final: Draft task 3.1

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Kees van Kempen
2022-03-18 16:54:21 +01:00
parent 0eb3a0295d
commit 1a8350e4f4
1 changed files with 8 additions and 2 deletions
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Final/Final - Tight-binding propagation method.ipynb
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@ -610,8 +610,14 @@
"outputs": [], "outputs": [],
"source": [ "source": [
"def hopping(i, j, n):\n", "def hopping(i, j, n):\n",
" # YOUR CODE HERE\n", " \"\"\"\n",
" raise NotImplementedError()\n", " \n",
" \"\"\"\n",
" \n",
" x = np.linspace(-1e12, 1e12, 1e12)\n",
" V = lambda x: -1 \n",
" integrand = lambda x: atomic_basis(x, positions[i], sigma)*V(x)*atomic_basis(x, positions[j], sigma)\n",
" return integrate(integrand, x)\n",
"\n", "\n",
"# Yann had\n", "# Yann had\n",
"# 1) a plot of the peaks as before\n", "# 1) a plot of the peaks as before\n",