4.6 Article

Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Variational Squeezed Davydov Ansatz for Realistic Chemical Systems with Nonlinear Vibronic Coupling

Jiarui Zeng et al.

Summary: Chemical systems typically exhibit strong nonlinear vibronic couplings at both zero and finite temperatures. The Davydov ansatz method, based on variational coherent states, is used to simulate quantum dynamics and spectroscopy. Two molecular systems, pyrazine and the 2-pyridone dimer, are studied as model systems, showing nontrivial quadratic vibronic couplings in different frequency regions. The method proves advantageous for nonlinear couplings, and squeezed bases are demonstrated to be applicable at finite temperatures using thermofield dynamics.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)

Article Chemistry, Physical

Simulation of Ab Initio Optical Absorption Spectrum of β-Carotene with Fully Resolved S0 and S2 Vibrational Normal Modes

Mantas Jakucionis et al.

Summary: The electronic absorption spectrum of beta-carotene was studied using quantum chemistry and quantum dynamics simulations. The results showed that there is no one-to-one correspondence between the ground- and excited-state vibrational modes, and electronic energy dissipation is mediated by numerous vibrational modes.

JOURNAL OF PHYSICAL CHEMISTRY A (2022)

Article Chemistry, Physical

Modeling molecular J and H aggregates using multiple-Davydov D2 ansatz

Mantas Jakucionis et al.

Summary: This study investigates the linear absorption spectrum of J and H molecular aggregates using the time-dependent Dirac-Frenkel variational principle with the multi-Davydov D-2 trial wavefunction. Both the electronic and vibrational degrees of freedom are considered. The study finds that the mD(2) Ansatz is necessary for accurately predicting the absorption spectrum in all parameter regimes, while the regular Davydov D-2 Ansatz is insufficient. The study also explores the wavepacket dynamics during excitation and finds that the electron-vibrational eigenstates of the aggregate reside on non-parabolic energy surfaces.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Exciton localization in tubular molecular aggregates: Size effects and optical response

Anna S. Bondarenko et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Materials Science, Multidisciplinary

Apoptosis of moving nonorthogonal basis functions in many-particle quantum dynamics

Michael Werther et al.

PHYSICAL REVIEW B (2020)

Article Chemistry, Physical

Modeling irreversible molecular internal conversion using the time-dependent variational approach with sD2 ansatz

Mantas Jakucionis et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Vibrational damping effects on electronic energy relaxation in molecular aggregates

Mantas Jakucionis et al.

CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Theories of quantum dissipation and nonlinear coupling bath descriptors

Rui-Xue Xu et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Temporal dynamics of excitonic states with nonlinear electron-vibrational coupling

Vladimir Chorosajev et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Finite-temperature time-dependent variation with multiple Davydov states

Lu Wang et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Variational dynamics of the sub-Ohmic spin-boson model on the basis of multiple Davydov D1 states

Lu Wang et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Polaronic effects at finite temperatures in the B850 ring of the LH2 complex

Vladimir Chorosajev et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Modeling of ultrafast time-resolved fluorescence applied to a weakly coupled chromophore pair

V. Balevicius et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Review Physics, Multidisciplinary

Exciton-vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

M. Schroeter et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2015)

Article Multidisciplinary Sciences

Vibronic origin of long-lived coherence in an artificial molecular light harvester

James Lim et al.

NATURE COMMUNICATIONS (2015)

Review Chemistry, Physical

The Structure and Dynamics of Molecular Excitons

Christopher J. Bardeen

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65 (2014)

Article Materials Science, Multidisciplinary

Dynamics of a one-dimensional Holstein polaron with the Davydov ansatze

Jin Sun et al.

PHYSICAL REVIEW B (2010)

Review Chemistry, Physical

Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics

G. A. Worth et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2008)

Review Physics, Multidisciplinary

Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions. I. Gaussian-white case

T Steffen et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2000)

Review Physics, Multidisciplinary

The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

MH Beck et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)