Αποτελέσματα Αναζήτησης
25 Ιουλ 2024 · Excited states articles within Nature Chemistry. Featured. Article20 August 2024 | Open Access. Synthesis of model heterojunction interfaces reveals...
- Vibronically coherent ultrafast triplet-pair formation and ... - Nature
Singlet exciton fission (SF), the conversion of one...
- Modeling excited-state molecular dynamics beyond the Born ... - Nature
One essential component of NAMD modeling is an electronic...
- Vibronically coherent ultrafast triplet-pair formation and ... - Nature
14 Νοε 2022 · One essential component of NAMD modeling is an electronic structure methodology that is able to describe the excited-state potential energy surface (PES) energetics, topology, and couplings (Fig....
13 Ιουν 2018 · Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems.
Understanding the physics of how matter interacts with light requires accurate modeling of electronic excited states of quantum systems. This underpins the behavior of photocatalysts, fluorescent dyes, quantum dots, light-emitting diodes (LEDs), lasers, solar cells, and more.
We present an algorithm to estimate the excited states of a quantum system by variational Monte Carlo, which has no free parameters and requires no orthogonalization of the states, instead transforming the problem into that of finding the ground state of an expanded system.
8 Αυγ 2018 · The two main relaxation channels of an electronically excited molecule are fluorescence and radiationless relaxation, a process in which the system relaxes to the ground state by dissipating electronic energy into heat.
27 Ιαν 2017 · Here, we demonstrate excited-state organometallic catalysis via such an activation pathway: Energy transfer from an iridium sensitizer produces an excited-state nickel complex that couples aryl halides with carboxylic acids.
