Theoretical Study of Non-Markov Effects on Singlet Fission Dynamics of Model Pentacene Dimers Using the Second-Order Time-Convolutionless Quantum Master Equation Method

2020 ◽  
Vol 124 (23) ◽  
pp. 12220-12229
Author(s):  
Wataru Yoshida ◽  
Kenji Okada ◽  
Hajime Miyamoto ◽  
Takayoshi Tonami ◽  
Takanori Nagami ◽  
...  
Keyword(s):  
Master Equation ◽  
Theoretical Study ◽  
Second Order ◽  
Equation Method ◽  
Quantum Master Equation ◽  
Singlet Fission

THE COLLISIONAL DECAY OF A FERMI SYSTEM INTERACTING WITH A MANY-MODE ELECTROMAGNETIC FIELD

2000 ◽  
Vol 09 (01) ◽  
pp. 17-50 ◽  
Author(s):  
E. STEFANESCU ◽  
A. SANDULESCU ◽  
W. SCHEID
Keyword(s):  
Electromagnetic Field ◽  
Master Equation ◽  
Single Particle ◽  
Order Approximation ◽  
Fermi System ◽  
Second Order ◽  
Dissipative Systems ◽  
Quantum Master Equation ◽  
Matrix Elements ◽  
Proximity Potential

We consider a system of Z fermions coupled to a dissipative environment through a two-body potential. We represent the system in a basis of single-particle, two-particle, … Z-particle excitated states. Using a procedure for averaging the rapid oscillations of the reduced density matrix in the interaction picture, the master equation of the system takes the form of a series expansion of powers of the dissipative potential matrix elements. The term of the second-order describes single-particle transitions, while the higher-order terms correspond to correlated transitions of the system particles. For the second- and the third-order terms, we derive microscopic expressions of the dissipative coefficients. For dissipative systems, when the state collectivity is broken into pieces through quantum diffusion, we use the quantum master equation of the second-order approximation. This equation satisfies basic physical conditions: particle conservation, Fermi–Dirac or Bose–Einstein distributions as asymptotic solutions of the populations, and entropy increase. On this basis, the decay of a Fermi system interacting with a many-mode electromagnetic field is described in terms of microscopic quantities: the matrix elements of the dissipative potential, the densities of the environment states, and the occupation probabilities of these states. A near-dipode–dipode interaction of the system with other neighbouring systems is taken into account. In addition to the coupling of the polarization with the population, included in the usual equations for two-level systems as a non-linear detuning, in equations for N-level systems two new couplings of the polarizations appear: a coupling due to the proximity potential, and a coupling due to the local field corrections, as a renormalization of the Rabi frequencies.

Theoretical Study on Exciton Recurrence Motion in Anthracene Dimer Using the Ab Initio MO-CI Based Quantum Master Equation Approach

2009 ◽  
Vol 113 (18) ◽  
pp. 5455-5462 ◽  
Author(s):  
Ryohei Kishi ◽  
Masayoshi Nakano ◽  
Takuya Minami ◽  
Hitoshi Fukui ◽  
Hiroshi Nagai ◽  
...  
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Theoretical Study ◽  
Quantum Master Equation ◽  
Equation Approach ◽  
Master Equation Approach ◽  
Ab Initio Mo

Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states

2021 ◽  
Author(s):  
Jean Custodio ◽  
Giulio Demetrius Creazo d'Oliveira ◽  
Fernando Gotardo ◽  
Leandro Cocca ◽  
Leonardo De Boni ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Chalcone Derivatives

In the following study, a combined experimental and theoretical study of the nonlinear optical properties (NLO) of two chalcone derivatives, (E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (MPSP) and (E)-3-(3-nitrophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (NPSP) in DMSO is reported. Single...

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