Final: Add comments that Yann (TA) gave in class

Final/Final - Tight-binding propagation method.ipynb

@@ -212,7 +212,9 @@
    "source": [
     "def atomic_basis(x, mu, sigma):\n",
     "    # YOUR CODE HERE\n",
-    "    raise NotImplementedError()"
+    "    raise NotImplementedError()\n",
+    "    \n",
+    "# Yann had result: plot of 10 peaks/gaussians at different centers x integers."
    ]
   },
   {
@@ -259,7 +261,9 @@
    "source": [
     "def integrate(yk, x):\n",
     "    # YOUR CODE HERE\n",
-    "    raise NotImplementedError()"
+    "    raise NotImplementedError()\n",
+    "\n",
+    "# \"Make sure to add all the docstrings and comments as to not lose points.\""
    ]
   },
   {
@@ -329,7 +333,14 @@
    "outputs": [],
    "source": [
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann had output:\n",
+    "#delta_00 = 1.00000\n",
+    "#delta_01 = 0.01832\n",
+    "#delta_02 = 0.00000\n",
+    "#delta_34 = 0.01832\n",
+    "# Explanation: next neighbours migth have some overlap. Further away, no overlap at all."
    ]
   },
   {
@@ -402,7 +413,16 @@
    "source": [
     "def hopping(i, j, n):\n",
     "    # YOUR CODE HERE\n",
-    "    raise NotImplementedError()"
+    "    raise NotImplementedError()\n",
+    "\n",
+    "# Yann had\n",
+    "# 1) a plot of the peaks as before\n",
+    "# 2) a weird line under it with peaks downward at these x\n",
+    "#    and slowly rising energy values outside the chain\n",
+    "# 3)\n",
+    "# For i = 1 ...\n",
+    "#     t_{i,i-1} = -0.1203\n",
+    "#     t_{i,i+1} = ..."
    ]
   },
   {
@@ -473,7 +493,9 @@
    "outputs": [],
    "source": [
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann said we just have to be able to solve tri-diagonal matrix diagonalization, but more general is ok."
    ]
   },
   {
@@ -589,7 +611,11 @@
     "# Do your plotting here ...\n",
     "\n",
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann had a plot with a couple of logisticly looking rising lines,\n",
+    "# starting at the same x point, but some higher starting y value,\n",
+    "# ending nonintersection some higher some lower."
    ]
   },
   {
@@ -944,7 +970,10 @@
     "# Animate here ...\n",
     "\n",
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann has an animation about an atomic orbital that starts\n",
+    "# moving to left and right and then bounce back."
    ]
   },
   {
@@ -995,7 +1024,11 @@
    "source": [
     "def getU_CN(tau, H):\n",
     "    # YOUR CODE HERE\n",
-    "    raise NotImplementedError()"
+    "    raise NotImplementedError()\n",
+    "\n",
+    "# Yann notes that the definition of $U_{CN}(\\tau)$ here is a little\n",
+    "# different from what Malte used on the slides. He recommends using\n",
+    "# what is stated here."
    ]
   },
   {
@@ -1068,7 +1101,10 @@
    "source": [
     "def getU_TZ(tau, H):\n",
     "    # YOUR CODE HERE\n",
-    "    raise NotImplementedError()"
+    "    raise NotImplementedError()\n",
+    "\n",
+    "# Yann mentions again that this is slightly different wrong what\n",
+    "# is in the slides/lecture."
    ]
   },
   {
@@ -1112,7 +1148,14 @@
    "outputs": [],
    "source": [
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann printed\n",
+    "#Biggest differences of U1 with Scipy:\n",
+    "#Real: 1e-16 \n",
+    "#Imag: 2.77e-17\n",
+    "#    \n",
+    "# and difference with U_exact in the order of 1e-1 or 1e-2."
    ]
   },
   {
@@ -1262,7 +1305,14 @@
     "# Do your own testing here ...\n",
     "\n",
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann had a plot for Tau = 1.5\n",
+    "# DOS: looking like a hill (\"like a dome with a peak around zero energy 0\")\n",
+    "# for CN, TS and the exact one\n",
+    "# a plot of f(t)\n",
+    "# a plot of local DOS\n",
+    "# in the title he mentiones the inital values."
    ]
   },
   {
@@ -1312,7 +1362,9 @@
    "outputs": [],
    "source": [
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann says the initial states do need to be negative, too."
    ]
   },
   {
@@ -1337,13 +1389,17 @@
     "# Do your plotting here ...\n",
     "\n",
     "# YOUR CODE HERE\n",
-    "raise NotImplementedError()"
+    "raise NotImplementedError()\n",
+    "\n",
+    "# Yann plotted the exact diagonalisation and the TS propagation results\n",
+    "# he had two plots, one peaky, one with peaks on the edges (looking a little\n",
+    "# like my 1f/2f results in my bachelor internship hmmpfff)"
    ]
   }
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "Python 3",
    "language": "python",
    "name": "python3"
   },