Quasi-classical trajectory method

{
  "id": "MLC-T-CHM-009770",
  "term": "Quasi-classical trajectory method",
  "field": "Chemistry",
  "definition": "A way of computing reaction trajectories in which the reactants' initial vibrational and rotational energies are set to quantized values, while the subsequent motion of the nuclei on the potential energy surface follows classical mechanics. Many trajectories with randomly chosen starting conditions are run and counted to obtain reaction probabilities, cross-sections and product state distributions. The method cannot describe tunnelling and can leak zero-point energy during a trajectory.",
  "synonyms": [
    "QCT method"
  ],
  "subject": "Physical and Biophysical Chemistry",
  "references": [
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 179 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/quasi-classical-trajectory-method/"
}