Displaced-points path integral method for including quantum effects in the Monte Carlo evaluation of free energies

Keyphrases

• Free Energy 100%
• Quantum Effects 100%
• Path Integral Method 100%
• Monte Carlo Evaluation 100%
• Quantum Mechanical 50%
• Perturbation Theory 50%
• Transition State 50%
• Monte Carlo 50%
• Path Integral 50%
• Integral Calculation 50%
• Semiclassical Approximation 50%
• Sum over Paths 50%
• Harmonic Potential 50%
• Mechanical Calculation 50%
• Double Sampling 50%

Chemistry

• Gibbs Free Energy 100%
• Path Integral 100%
• k·p perturbation theory 50%
• Transition State 50%
• Harmonic Potential 50%