PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-)system + bath dynamics

Keyphrases

• Fortran 100%
• Quantum Mechanical 100%
• C + + 100%
• Path Integral Method 100%
• Multisystem 100%
• System-bath 100%
• Real Time Path Integral 100%
• Extended Systems 60%
• Path Integral 40%
• Small Matrices 40%
• Matrix Path 40%
• Single System 20%
• Convergence Characteristics 20%
• Entanglement 20%
• Excitonic 20%
• Method Selection 20%
• Quantum Approach 20%
• Coupled System 20%
• Reduced Density Matrix 20%
• Code Structure 20%
• Software Suite 20%
• Molecular Aggregates 20%
• Two-module 20%
• System Module 20%
• Quantum Spin Chains 20%
• Quasi-adiabatic 20%
• Blip 20%
• Harmonic Environment 20%
• Matrix Product Operator 20%
• Integral Module 20%

Engineering

• Path Integral Method 100%
• Extended System 60%
• Harmonics 20%
• Entanglement 20%
• Density Matrix 20%
• Coupled System 20%
• Selection Method 20%
• Single System 20%
• Matrix Product 20%

Chemistry

• Path Integral 100%
• Density Matrix 14%
• Time Evolving Matrix Product Operator 14%