Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Lachlan P. Lindoy"'
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-8 (2024)
Abstract The dynamics of quantum systems coupled to baths are typically studied using the Nakajima-Zwanzig memory kernel ( $${{{\bf{{{{\mathcal{K}}}}}}}}$$ K ) or the influence functions (I), particularly when memory effects are present. Despite thei
Externí odkaz:
https://doaj.org/article/8c1c17a99b394571b239785be5ce6361
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-14 (2023)
Abstract Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a fi
Externí odkaz:
https://doaj.org/article/11e323dbc56849129219abd765406216
Publikováno v:
Physical Review B. 106
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21cfd29d8e792b7395d646a17b08e613
https://doi.org/10.1103/physrevb.106.235407
https://doi.org/10.1103/physrevb.106.235407
Recent experiments have suggested that ground state chemical kinetics can be suppressed or enhanced by coupling the vibrational degrees of freedom of a molecular system with a radiation mode inside an optical cavity. Experiments show that the chemica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e3fb335eef9df59b726b186c80fd2e5
http://arxiv.org/abs/2205.05142
http://arxiv.org/abs/2205.05142
The multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) approach suffers from numerical instabilities whenever the wavefunction is weakly entangled. These instabilities arise from singularities in the equations of motion (EOMs) and neces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd363420674a8ac92ed21a9571e4cd4b
http://arxiv.org/abs/2109.03134
http://arxiv.org/abs/2109.03134
Radical pair recombination reactions are known to be sensitive to extremely weak magnetic fields, and can therefore be said to function as molecular magnetoreceptors. The classic example is a carotenoid-porphyrin-fullerene (C+PF-) radical pair that h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb671bb71ad8ea0e0990f6961c8e3634
Publikováno v:
The Journal of Chemical Physics. 155:174108
We derive a family of equations of motion (EOMs) for evolving multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) wavefunctions that, unlike the standard ML-MCTDH EOMs, never require the evaluation of the inverse of singular matrices. Al
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85cda3d8a680b8aad1db92d3027f3d9a
https://doi.org/10.1063/5.0070042
https://doi.org/10.1063/5.0070042
Relaxation processes can have a large effect on the spin selective electron transfer reactions of radical pairs. These processes are often treated using phenomenological relaxation superoperators or with some model for the microscopic relaxation mech
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc84fb9a63f77d6c9c84242df9018795
https://ora.ox.ac.uk/objects/uuid:77bcd945-1374-458a-b3ce-b4a6253a23c5
https://ora.ox.ac.uk/objects/uuid:77bcd945-1374-458a-b3ce-b4a6253a23c5
Publikováno v:
Faraday Discussions
Currently the most likely mechanism of the magnetic compass sense in migratory songbirds relies on the coherent spin dynamics of pairs of photochemically formed radicals in the retina. Spin-conserving electron transfer reactions are thought to result
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd39f76a8c9ed4116157e269d83421e9
http://ora.ox.ac.uk/objects/uuid:
http://ora.ox.ac.uk/objects/uuid:
We present a simple interpolation formula for the rate of an electron transfer reaction as a function of the electronic coupling strength. The formula only requires the calculation of Fermi Golden Rule and Born-Oppenheimer rates and so can be combine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99e73c806e67a6af587e84d00244f528