Zobrazeno 1 - 10
of 409
pro vyhledávání: '"Gelin, Maxim"'
Graphitic carbon nitride ($g$-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecule is the building block of graphitic carbon nitride. The photochemistr
Externí odkaz:
http://arxiv.org/abs/2412.00400
The development of X-ray free-electron lasers (XFELs) has enabled ultrafast X-ray diffraction (XRD) experiments, which are capable of resolving electronic/vibrational transitions and structural changes in molecules, or capturing molecular movies. Whi
Externí odkaz:
http://arxiv.org/abs/2408.15494
Two-dimensional (2D) fluorescence-excitation (2D-FLEX) spectroscopy is a recently proposed nonlinear femtosecond technique for the detection of photoinduced dynamics. The method records a time-resolved fluorescence signal in its excitation- and detec
Externí odkaz:
http://arxiv.org/abs/2406.15262
We offer a theoretical perspective on simulation and engineering of polaritonic conical-intersection-driven singlet-fission (SF) materials. Using rubrene as an example and applying the numerically accurate Davydov-Ansatz methodology, we derive dynami
Externí odkaz:
http://arxiv.org/abs/2403.08286
In recent years, machine learning (ML) surrogate models have emerged as an indispensable tool to accelerate simulations of physical and chemical processes. However, there is still a lack of ML models that can accurately predict molecular vibrational
Externí odkaz:
http://arxiv.org/abs/2402.06911
Dynamics of the sub-Ohmic spin-boson model under polarized initial conditions at finite temperature is investigated by employing both analytical tools and the numerically accurate hierarchical equations of motion-tensor train method. By analyzing the
Externí odkaz:
http://arxiv.org/abs/2402.02138
Publikováno v:
J. Phys. Chem. Lett. 15 (2024), 447-453
Employing the numerically accurate multiple Davydov Ansatz in combination with the thermo-field dynamics approach, we delve into interplay of the finite-temperature dynamics of holes and magnons in an antiferromagnet, which allows for scrutinizing pr
Externí odkaz:
http://arxiv.org/abs/2401.11184
We investigate Landau-Zener (LZ) transitions in the three-level bow-tie model (3L-BTM) in a dissipative environment by using the numerically accurate method of multiple Davydov D2 Ansatze. We first consider the 3L-TBM coupled to a single harmonic mod
Externí odkaz:
http://arxiv.org/abs/2309.01580
Publikováno v:
J. Phys. Chem. Lett. 14, 221-229 (2023)
We have developed an ab-initio-based fully-quantum numerically-accurate methodology for the simulation of the exciton dynamics and time- and frequency-resolved fluorescence spectra of the cavity-controlled two-dimensional materials at finite temperat
Externí odkaz:
http://arxiv.org/abs/2303.15470
Publikováno v:
J.Chem. Phys. 158 (2023) 204115
We investigate the dynamics of Landau-Zener transitions in an anisotropic, dissipative three-level model (3-LZM) using the numerically accurate multiple Davydov D2 Ansatz in the framework of time-dependent variation. It is demonstrated that a non-mon
Externí odkaz:
http://arxiv.org/abs/2303.08234