Computational methods in molecular quantum mechanics
CH-452
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- Zoom link for exercise sessions (Federica) (URL)
- Zoom link to exercise session (Edrick) (URL)
- News forum (Forum)
- Link to dropbox folder containing useful reading material (URL)
- Link to google drive containing useful books (please login with epfl google account) (URL)
- Guidelines exam (File)
- Exam schedule - CH-452 (File)
- Syllabus 2025 (File)
- Lecture Notes 1 (File)
- Exercise session: Mathematical Formalism (File)
- True & False: Linear Algebra (File)
- Q&A - Lecture 1 (File)
- Lecture & Exercise session - Recording (URL)
- Lecture Notes 2 - SOFT (File)
- SOFT in Mathematica (PDF) (File)
- SOFT in Mathematica (Notebook) (File)
- Exercise session: 1D-Simulation of wave functions (File)
- Q&A - Lecture 2 (File)
- Discussion (File)
- MSOFT notebook (URL)
- OSSCAR link (URL)
- Derivation coupled channel equation (File)
- Exercise Session: Quantum Description of the Nuclei-Electron System (File)
- Q&A - Lecture 3 (File)
- Projects - CH-452 (File)
- Registration form for the projects (URL)
- Lecture 4 (URL)
- Projects slides (File)
- Q&A - Lecture 4 (File)
- Lecture 5 (URL)
- Variational Method: Harmonic Oscillator (Mathematica Notebook) (File)
- Variational Method: Harmonic Oscillator (PDF) (File)
- Variational Method: References (File)
- Q&A Lecture 5 (File)
- Q&A - Lecture 6 (File)
- Exercise Session: Hartree-Fock method (File)
- Lecture 6 (URL)
- Notes HF method (File)
- Exercise Session: Exchange-Correlation (File)
- Lecture 7 (URL)
- Exercise Session 7 (URL)
- Which XC functional should I choose? (File)
- Q&A Lecture 7 (File)
- Stationary phase approximation notebook (URL)
- Lecture 11 (URL)
- Exercise session 11 (URL)
- Q&A Lecture 11 (File)