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1.
Finite temperature dynamics in a polarized sub-Ohmic heat bath: A hierarchical equations of motion-tensor train study.
J Chem Phys
; 160(16)2024 Apr 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38656440
2.
High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches.
J Chem Phys
; 160(20)2024 May 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38775742
3.
Current-induced bond rupture in single-molecule junctions: Effects of multiple electronic states and vibrational modes.
J Chem Phys
; 159(2)2023 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37428047
4.
Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space.
J Chem Phys
; 156(19): 194102, 2022 May 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35597642
5.
Effect of mixed Frenkel and charge transfer states in time-gated fluorescence spectra of perylene bisimides H-aggregates: Hierarchical equations of motion approach.
J Chem Phys
; 157(8): 084103, 2022 Aug 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-36049980
6.
Reliable Predictions of Benzophenone Singlet-Triplet Transition Rates: A Second-Order Cumulant Approach.
J Phys Chem A
; 125(1): 43-49, 2021 Jan 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-33369419
7.
Probing photoinduced proton coupled electron transfer process by means of two-dimensional resonant electronic-vibrational spectroscopy.
J Chem Phys
; 154(14): 144104, 2021 Apr 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-33858150
8.
Efficient quantum dynamics simulations of complex molecular systems: A unified treatment of dynamic and static disorder.
J Chem Phys
; 155(13): 134102, 2021 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-34624969
9.
Proton tunneling in a two-dimensional potential energy surface with a non-linear system-bath interaction: Thermal suppression of reaction rate.
J Chem Phys
; 152(21): 214114, 2020 Jun 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-32505152
10.
Density matrix dynamics in twin-formulation: An efficient methodology based on tensor-train representation of reduced equations of motion.
J Chem Phys
; 150(23): 234102, 2019 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31228887
11.
Dynamics of Coupled Electron-Boson Systems with the Multiple Davydov D1 Ansatz and the Generalized Coherent State.
J Phys Chem A
; 121(46): 8757-8770, 2017 Nov 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-29064239
12.
Efficient orientational averaging of nonlinear optical signals in multi-chromophore systems.
J Chem Phys
; 147(4): 044114, 2017 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-28764391
13.
Absorption Band Shapes of a Push-Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations.
J Phys Chem A
; 120(28): 5581-9, 2016 Jul 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-27328113
14.
Quantum dynamics of electronic transitions with Gauss-Hermite wave packets.
J Chem Phys
; 144(11): 114102, 2016 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-27004857
15.
Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach.
J Chem Phys
; 145(22): 224101, 2016 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27984899
16.
Vibronic couplings and coherent electron transfer in bridged systems.
Phys Chem Chem Phys
; 17(46): 30937-45, 2015 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-26172426
17.
Theoretical and experimental determination of the absorption and emission spectra of a prototypical indolenine-based squaraine dye.
Phys Chem Chem Phys
; 16(6): 2390-8, 2014 Feb 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-24352799
18.
Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex.
Phys Chem Chem Phys
; 15(16): 5957-66, 2013 Apr 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-23493911
19.
Thermo-Field Dynamics Approach to Photo-induced Electronic Transitions Driven by Incoherent Thermal Radiation.
J Chem Theory Comput
; 19(18): 6402-6413, 2023 Sep 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-37656914
20.
Generating function approach to the calculation of spectral band shapes of free-base chlorin including Duschinsky and Herzberg-Teller effects.
J Phys Chem A
; 116(40): 9934-40, 2012 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-22978703