Microscopic derivation of transition-state theory for complex quantum systems
Fuente:
arXiv
Guardado en:
| Autores principales: | , |
|---|---|
| Formato: | Preprint |
| Publicado: |
2023
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866913291442323456 |
|---|---|
| author | Hagino, K. Bertsch, G. F. |
| author_facet | Hagino, K. Bertsch, G. F. |
| contents | The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic Hamiltonian as might be constructed in a configuration-interaction basis. Two reservoirs of random Hamiltonians from Gaussian orthogonal ensembles are coupled to intermediate states representing the transition states at a barrier. Under the condition that the decay of the reservoirs to open channels is large, an analytic formula for reaction rates is derived. The transition states act as independent Breit-Wigner resonances which contribute additively to the total transition probability, as is well known for electronic conductance through resonant tunneling states. It is also found that the transition probability is independent of the decay properties of the states in the second reservoir over a wide range of decay widths. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_09537 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Microscopic derivation of transition-state theory for complex quantum systems Hagino, K. Bertsch, G. F. Nuclear Theory Statistical Mechanics Chemical Physics Quantum Physics The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic Hamiltonian as might be constructed in a configuration-interaction basis. Two reservoirs of random Hamiltonians from Gaussian orthogonal ensembles are coupled to intermediate states representing the transition states at a barrier. Under the condition that the decay of the reservoirs to open channels is large, an analytic formula for reaction rates is derived. The transition states act as independent Breit-Wigner resonances which contribute additively to the total transition probability, as is well known for electronic conductance through resonant tunneling states. It is also found that the transition probability is independent of the decay properties of the states in the second reservoir over a wide range of decay widths. |
| title | Microscopic derivation of transition-state theory for complex quantum systems |
| topic | Nuclear Theory Statistical Mechanics Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2310.09537 |