Packages

Scitools

Package:  https://github.com/binggu56/scitools

Scitools is a python package created to provide researchers working in diverse fields of quantum mechanics some advanced computational tools that I have written during the years. The primary focus is on quantum dynamics, open quantum systems, periodically driven quantum systems, non-adiabatic dynamics, trajectory-based approximate methods, making figures etc.

Documentation is to be added to illustrate how to use this package.

How to use

  1. download the package
  2. enter into the main directory, install the package with
pip install .

Current modules

Noise

Generate white and colored noise to simulate stochastic dynamics, e.g., stochastic Schrodinger equations.

Plotting

A matplotlib style file to generate publication quality figures.

Quantum dynamics

Methods to solve time-dependent Schrödinger equations.

Exact methods:

  • Split-operator method
  • Discrete variable representation (to be added)

Approximate methods:

Non-adiabatic molecular dynamics

Quantum dynamic with multiple electronic surfaces.

Band structure

  • Compute band structure from tight-binding Hamiltonians.

Open quantum systems

Simulation of open quantum system dynamics.

Methods:

  • Redfield equations
  • Hierarchical equation of motion
  • second-order time-convolutionless equation

Periodically driven quantum systems (Floquet systems)

  • Quasienergy levels of a periodically driven quantum system using Floquet theorem