Computational methods in molecular quantum mechanics
CH-452
This file is part of the content downloaded from Computational methods in molecular quantum mechanics.
- Zoom link for the lectures (URL)
- Zoom link for exercise sessions (Federica) (URL)
- Zoom link to exercise session (Edrick) (URL)
- News forum (Forum)
- Syllabus 2024 (File)
- Link to google drive containing useful books (please login with epfl google account) (URL)
- Guidelines exam (File)
- Q&A - Lecture 3 (File)
- Lecture & Exercise session 3 (URL)
- SOFT notebook (URL)
- MSOFT notebook (URL)
- OSSCAR link (URL)
- Derivation coupled channel equation (File)
- Projects CH-452 (File)
- Registration form for the projects (Exam) (URL)
- Lecture 4 (URL)
- More on the diabatic basis (File)
- Q&A Lecture 4 (File)
- Lecture 5 (URL)
- Exercise session (Variational Principle, PDF) (File)
- Exercise Session (Variational Principle, Mathematica notebook) (File)
- Exercise session 5 (URL)
- Q&A - Lecture 5 (File)
- Lecture 6 (URL)
- Exercise Session (Lagrange multipliers, PDF) (File)
- Exercise Session (Lagrange multipliers, Mathematica notebook) (File)
- Solutions problem (File)
- Exercise session 7 (partial) (URL)
- Q&A Lecture 6 (File)
- Exercise Session (Basis Sets, PDF) (File)
- Exercise Session (Basis Sets, Mathematica Notebook) (File)
- Exercise Session 9 (URL)
- Lecture 9 (URL)
- Q&A - Lecture 9 (File)
- Stationary phase approximation notebook (URL)
- Lecture 11 (URL)
- Exercise session 11 (URL)
- Notebook on Stationary Phase Approximation (URL)
- Q&A Lecture 11 (File)
- Paper power point (File)
- Paper - Anharmonic spectral features via trajectory-based quantum dynamics (File)
- Lecture 12 (URL)
- Exercise session 12 (URL)