simonfalconer/1DResonance
A collection of Jupyter notebook files that demonstrate how the energy and width of a resonance can be extracted using the time-dependent schrodinger equation (TDSE) and the projected complex absorbing potential (pCAP) method in a model one-dimensional system.
A collection of Jupyter notebook files that demonstrate how the energy and width of a resonance can be extracted using the time-dependent schrodinger equation (TDSE) and the projected complex absorbing potential (pCAP) method in a model one-dimensional system. Each notebook file features a series of numerical quantum mechanical calculations with surface-level descriptions that walk through a specific approach:
- 1DResonance_dynamics - A dynamical approach in which a wavepacket is prepared and then evolved using the TDSE.
- 1DResonance_pCAP - A simple, high-accuracy pCAP approach that is parameterized similarly to the dynamics calculation.
- 1DResonance_pCAP_Gaussian - A more traditional pCAP approach that utilizes a Gaussian basis and an eta-trajectory analysis.
These exercises were inspired by the work of Shachar Klaiman and Ido Gilary:
Klaiman, S.; Gilary, I. On Resonance: A First Glance into the Behavior of Unstable States. Advances in Quantum Chemistry, 2012, 6, 1-31, DOI: 10.1016/B978-0-12-397009-1.00001-1.