Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Justin Provazza"'
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-12 (2023)
Abstract This work proposes a photophysical phenomenon whereby ultraviolet/visible (UV/vis) excitation of a molecule involving a Franck-Condon (FC) active vibration yields infrared (IR) emission by strong coupling to an optical cavity. The resulting
Externí odkaz:
https://doaj.org/article/a8ad5bc6b36844de9414e5f1466a0f28
Publikováno v:
Journal of Chemical Theory and Computation. 18:2047-2061
The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this articl
Autor:
Justin Provazza, Roel Tempelaar
Quantum decoherence is the disappearance of simple phase relations within a discrete quantum system as a result of interactions with an environment. For many applications, the question is not necessarily how to avoid (inevitable) system-environment i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c31c3a347ab49f40163a52064adcc89f
The partially linearized density matrix formalism for nonadiabatic dynamics is adapted to incorporate a classical external electromagentic field into the system Hamiltonian. This advancement encompasses the possibility of describing field-driven dyna
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::840d030d9affe5f2b5994e46b805c981
https://hdl.handle.net/11585/790644
https://hdl.handle.net/11585/790644
Publikováno v:
The Journal of chemical physics. 155(1)
The truncated Wigner approximation to quantum dynamics in phase space is explored in the context of computing vibronic line shapes for monomer linear optical spectra. We consider multiple model potential forms including a shifted harmonic oscillator
We derive a formulation of mixed quantum-classical dynamics for describing electronic carriers interacting with phonons in reciprocal space. For dispersionless phonons, we start by expressing the real-space classical coordinates in terms of complex v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e45465a5310e5bfd58b70471a63e9bc2
http://arxiv.org/abs/2103.06285
http://arxiv.org/abs/2103.06285
Growing experimental and theoretical evidence points to the key role of cryptochrome proteins in magnetoreception by migratory birds and insects. Cryptochrome photoactivation is achieved through a cascade of electron transfer events leading to format
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::614d354a19517a5e3a7bc54d10563712
https://doi.org/10.26434/chemrxiv.12613865.v1
https://doi.org/10.26434/chemrxiv.12613865.v1
Publikováno v:
The Journal of Chemical Physics. 154:224109
Ensembles of ab initio parameterized Frenkel-exciton model Hamiltonians for different perylene diimide dimer systems are used, together with various dissipative quantum dynamics approaches, to study the influence of the solvation environment and fluc
Publikováno v:
Journal of chemical theory and computation. 14(2)
Computation of nonlinear optical response functions allows for an in-depth connection between theory and experiment. Experimentally recorded spectra provide a high density of information, but to objectively disentangle overlapping signals and to reac
Publikováno v:
The journal of physical chemistry. A. 121(41)