SHARP Pack
2.0

Getting Started:

  • Introduction
  • Installation
  • Models
  • Simulations

Theoretical Method:

  • Ring Polymer Surface Hopping (RPSH) Algorithm
  • Diagonal Born–Oppenheimer Correction (DBOC)
  • Decoherence

Tutorials:

  • Tutorials
  • Tully Model-I (FSSH)
  • Tully Model-II (RPSH)
  • Tully Model-III (Branching Probability)
  • Linear Chain Model
  • Spin-Boson Model (Debye Spectral Density)

Miscellaneous:

  • Change Log
  • Bibliography
SHARP Pack
  • Welcome to SHARP Pack Documentation!

Welcome to SHARP Pack Documentation!

SHARPPack

Getting Started:

  • Introduction
  • Installation
    • Required Libraries
    • Compilation Steps
  • Models
    • Tully Models
    • Morse Potential Models
    • Linear Chain Model
    • Super Exchange Model
    • Spin–Boson Model
    • Spectral Density
  • Simulations
    • Keywords
    • Input File
    • Output Files
    • Population Calculation
    • Running Simulation

Theoretical Method:

  • Ring Polymer Surface Hopping (RPSH) Algorithm
  • Diagonal Born–Oppenheimer Correction (DBOC)
  • Decoherence

Tutorials:

  • Tutorials
  • Tully Model-I (FSSH)
  • Tully Model-II (RPSH)
  • Tully Model-III (Branching Probability)
  • Linear Chain Model
  • Spin-Boson Model (Debye Spectral Density)

Miscellaneous:

  • Change Log
  • Bibliography
Next

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