From 1a8350e4f47028222de199b6b2e35f44f30e6d8a Mon Sep 17 00:00:00 2001 From: Kees van Kempen Date: Fri, 18 Mar 2022 16:54:21 +0100 Subject: [PATCH] Final: Draft task 3.1 --- Final/Final - Tight-binding propagation method.ipynb | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/Final/Final - Tight-binding propagation method.ipynb b/Final/Final - Tight-binding propagation method.ipynb index dc2eeec..6139513 100644 --- a/Final/Final - Tight-binding propagation method.ipynb +++ b/Final/Final - Tight-binding propagation method.ipynb @@ -610,8 +610,14 @@ "outputs": [], "source": [ "def hopping(i, j, n):\n", - " # YOUR CODE HERE\n", - " raise NotImplementedError()\n", + " \"\"\"\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", "# Yann had\n", "# 1) a plot of the peaks as before\n",