Nonadiabatic decay of metastable states on coupled linear potentials
Avoided crossings of level pairs with opposite slopes can form potential-energy minima for the external degree of freedom of quantum particles, giving rise to metastable states on the avoided crossings (MSACs). Nonadiabatic decay of MSACs is studied by solving the two-component Schrödinger equation...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2022-01-01
|
| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/ac6ca2 |
| _version_ | 1797748449580417024 |
|---|---|
| author | Alisher Duspayev Ansh Shah Georg Raithel |
| author_facet | Alisher Duspayev Ansh Shah Georg Raithel |
| author_sort | Alisher Duspayev |
| collection | DOAJ |
| description | Avoided crossings of level pairs with opposite slopes can form potential-energy minima for the external degree of freedom of quantum particles, giving rise to metastable states on the avoided crossings (MSACs). Nonadiabatic decay of MSACs is studied by solving the two-component Schrödinger equation in diabatic and adiabatic representations. Non-perturbative lifetime values are found by evaluating wave function flux and scattering phases of time-independent solutions, as well as wave-function decay of time-dependent solutions. The values from these methods generally agree well, validating the utilized approaches. As the adiabaticity parameter, V , of the system is increased by about a factor of ten across the mixed diabatic/adiabatic regime, the MSAC character transitions from marginally to highly stable, with the lifetimes increasing by about ten orders of magnitude. The dependence of MSAC lifetime on the vibrational quantum number, ν , is discussed for several regimes of V . Time-dependent perturbation theory yields lifetimes that deviate by ≲30% from non-perturbative results, over the range of V and ν studied, while a semi-classical model based on Landau–Zener tunneling is up to a factor of twenty off. The results are relevant to numerous atomic and molecular systems with metastable states on intersecting, coupled potential energy curves. |
| first_indexed | 2024-03-12T16:04:55Z |
| format | Article |
| id | doaj.art-bf227a28fe2743b2a91da9707ab09d16 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:04:55Z |
| publishDate | 2022-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-bf227a28fe2743b2a91da9707ab09d162023-08-09T14:24:22ZengIOP PublishingNew Journal of Physics1367-26302022-01-0124505304310.1088/1367-2630/ac6ca2Nonadiabatic decay of metastable states on coupled linear potentialsAlisher Duspayev0https://orcid.org/0000-0001-5322-5762Ansh Shah1Georg Raithel2https://orcid.org/0000-0002-2005-8440Department of Physics, University of Michigan , Ann Arbor, MI 48109, United States of AmericaDepartment of Physics, University of Michigan , Ann Arbor, MI 48109, United States of AmericaDepartment of Physics, University of Michigan , Ann Arbor, MI 48109, United States of AmericaAvoided crossings of level pairs with opposite slopes can form potential-energy minima for the external degree of freedom of quantum particles, giving rise to metastable states on the avoided crossings (MSACs). Nonadiabatic decay of MSACs is studied by solving the two-component Schrödinger equation in diabatic and adiabatic representations. Non-perturbative lifetime values are found by evaluating wave function flux and scattering phases of time-independent solutions, as well as wave-function decay of time-dependent solutions. The values from these methods generally agree well, validating the utilized approaches. As the adiabaticity parameter, V , of the system is increased by about a factor of ten across the mixed diabatic/adiabatic regime, the MSAC character transitions from marginally to highly stable, with the lifetimes increasing by about ten orders of magnitude. The dependence of MSAC lifetime on the vibrational quantum number, ν , is discussed for several regimes of V . Time-dependent perturbation theory yields lifetimes that deviate by ≲30% from non-perturbative results, over the range of V and ν studied, while a semi-classical model based on Landau–Zener tunneling is up to a factor of twenty off. The results are relevant to numerous atomic and molecular systems with metastable states on intersecting, coupled potential energy curves.https://doi.org/10.1088/1367-2630/ac6ca2nonadiabatic decayquantum dynamicsavoided crossingSchrodinger equationBreit–Wigner formulaLandau–Zener tunneling |
| spellingShingle | Alisher Duspayev Ansh Shah Georg Raithel Nonadiabatic decay of metastable states on coupled linear potentials New Journal of Physics nonadiabatic decay quantum dynamics avoided crossing Schrodinger equation Breit–Wigner formula Landau–Zener tunneling |
| title | Nonadiabatic decay of metastable states on coupled linear potentials |
| title_full | Nonadiabatic decay of metastable states on coupled linear potentials |
| title_fullStr | Nonadiabatic decay of metastable states on coupled linear potentials |
| title_full_unstemmed | Nonadiabatic decay of metastable states on coupled linear potentials |
| title_short | Nonadiabatic decay of metastable states on coupled linear potentials |
| title_sort | nonadiabatic decay of metastable states on coupled linear potentials |
| topic | nonadiabatic decay quantum dynamics avoided crossing Schrodinger equation Breit–Wigner formula Landau–Zener tunneling |
| url | https://doi.org/10.1088/1367-2630/ac6ca2 |
| work_keys_str_mv | AT alisherduspayev nonadiabaticdecayofmetastablestatesoncoupledlinearpotentials AT anshshah nonadiabaticdecayofmetastablestatesoncoupledlinearpotentials AT georgraithel nonadiabaticdecayofmetastablestatesoncoupledlinearpotentials |