Diabatic coupling
Term · Chemistry · MLC-T-CHM-003118
The interaction between two or more electronic states that leads to transitions between them, particularly when the Born-Oppenheimer approximation breaks down. This coupling is described by off-diagonal elements in the electronic Hamiltonian matrix, which depend on nuclear coordinates. It is a key concept in understanding non-adiabatic processes in chemical reactions and spectroscopy.
| Identifier | MLC-T-CHM-003118 |
|---|---|
| Field | Chemistry |
| 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 163 (https://doi.org/10.1351/pac199668010149) |
| See also | Chemical induction |
Record as JSON
{
"id": "MLC-T-CHM-003118",
"term": "Diabatic coupling",
"field": "Chemistry",
"definition": "The interaction between two or more electronic states that leads to transitions between them, particularly when the Born-Oppenheimer approximation breaks down. This coupling is described by off-diagonal elements in the electronic Hamiltonian matrix, which depend on nuclear coordinates. It is a key concept in understanding non-adiabatic processes in chemical reactions and spectroscopy.",
"subject": "Physical and Biophysical Chemistry",
"see_also": [
"chemical induction"
],
"references": [
"PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 163 (https://doi.org/10.1351/pac199668010149)"
],
"url": "https://mlchart.com/terminology/chemistry/diabatic-coupling/"
}
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