wubaihua / wDVR

Discrete Variable Representation (DVR) for multi-state quantum system

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wDVR

Discrete Variable Representation (DVR) for multi-state quantum system

Author: Baihua Wu (wubaihua@pku.edu.cn)

Last update: 2021.1.18

Introduction

wDVR is a DVR program for 1-dim multi electronic state quantum system to solve the eigen equation and compute the time evolution of the system.

Features Currently Implemented

  • finite DVR

Supported Test Model

  • Harmonic oscillator
  • Quadruple oscillator
  • 2-state dual harmonic oscillator
  • 3-state morse potential

TODO

  • Tully model
  • sine-DVR
  • compute the thermal equilibrium correlation function

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Discrete Variable Representation (DVR) for multi-state quantum system


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