index.ipynb

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    "# Psi4 seminar\n",
    "## Author: Peter Kraus\n",
    "### Date: 16th of April 2021, Forrest Hall\n",
    "### Version: 2\n",
    "\n",
    "Thanks to:<br/>\n",
    "<img src=\"images/frf_logo.jpg\" width=\"400\" />"
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    "### Outline"
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    "- [Session 1](session_1.ipynb):\n",
    "  - Installing Psi4\n",
    "  - Running Psi4\n",
    "    - As an executable\n",
    "    - As a python moduel\n",
    "    - Via QCEngine\n",
    "  - Basics in Psi4\n",
    "    - Molecule specification\n",
    "    - Single-point energies\n",
    "    - Geometry optimizations\n",
    "    - Frequency calculations"
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    "- [Session 2](session_2.ipynb):\n",
    "  - Practical intro to SAPT\n",
    "    - A short SAPT overview\n",
    "    - Method selection\n",
    "  - Focal point methods\n",
    "    - Basis set extrapolation\n",
    "    - Composite methods\n",
    "    - Extrapolation of DFT"
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