相关论文: Fast, accurate simulation of polaron dynamics and …
We propose an extension to the Davydov D$_2$ Ansatz in the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the Dirac-Frenkel time-dependent variational principle. The new…
Following the Dirac-Frenkel time-dependent variational principle, dynamics of a one-dimensional Holstein polaron is probed by employing the Davydov D2 Ansatz with two sets of variational parameters, one for each constituting particle in the…
Following the Dirac-Frenkel time-dependent variational principle, transient dynamics of a one-dimensional Holstein polaron with diagonal and off-diagonal exciton-phonon coupling in an external electric field is studied by employing the…
Treated traditionally by the Ehrenfest approximation, dynamics of a one-dimensional molecular crystal model with off-diagonal exciton-phonon coupling is investigated in this work using the Dirac-Frenkel time-dependent variational principle…
The ground state properties and quantum phase transitions of sub-Ohmic spin-boson models are investigated using the multiple Davydov D2 Ansatz in conjunction with the variational principle. Three variants of the model are studied: (i) a…
Dynamics of the sub-Ohmic spin-boson model is investigated by employing a multitude of the Davydov D$_1$ trial states, also known as the multi-D$_1$ Ansatz. Accuracy in dynamics simulations is improved significantly over the single D$_1$…
The linear absorption spectrum of J and H molecular aggregates is studied using the time-dependent Dirac-Frenkel variational principle (TDVP) with the multi-Davydov D2 (mD2) trial wavefunction (Ansatz). Both the electronic and vibrational…
The optical properties of polarons are studied in the framework of the Holstein model by applying the dynamical mean-field theory. This approach allows to enlighten important quantitative and qualitative deviations from the limiting…
We describe a variational method to solve the Holstein model for an electron coupled to dynamical, quantum phonons on an infinite lattice. The variational space can be systematically expanded to achieve high accuracy with modest…
We present systematic comparison of three quantum mechanical approaches describing excitation dynamics in molecular complexes using the Time-Dependent variational principle (TDVP) with three increasing sophistication trial wavefunctions…
The Dirac-Frenkel time-dependent variational approach with Davydov Ans\"atze is a sophisticated, yet efficient technique to obtain an acuurate solution to many-body Schr\"odinger equations for energy and charge transfer dy- namics in…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
A non-perturbative treatment, the Dirac-Frenkel time-dependent variation is employed to examine dynamics of the Landau-Zener model with both diagonal and off-diagonal qubit-bath coupling using the multiple Davydov trial states. It is shown…
Intramolecular singlet fission (iSF) materials provide remarkable advantages in terms of tunable electronic structures, and quantum chemistry studies have indicated strong electronic coupling modulation by high frequency phonon modes. In…
We use the Variational Exact Diagonalization to investigate the single polaron properties for four different dual models, combining a short-range off-diagonal (Peierls) plus a longer-range diagonal (Holstein or breathing-mode) coupling.…
We develop a theoretical approach to study the transient dynamics and the time-dependent statistics for the Anderson-Holstein model in the regime of strong electron-phonon coupling. For this purpose we adapt a recently introduced…
A new variational technique is developed to investigate the polaronic features of the Holstein Molecular Crystal Model. It is based on a linear superposition of Bloch states that describe large and small polaron wave functions. It is shown…
We employ the Dirac-Frenkel variational principle and multiple Davydov ansatz to study time-dependent fluorescence spectra of a driven qubit in the weak- to strong qubit-reservoir coupling regimes, where both the Rabi frequency and…
The Dirac-Frenkel time-dependent variation is employed to probe the dynamics of the zero temperature sub-Ohmic spin-boson model with strong friction utilizing the Davydov D1 ansatz. It is shown that initial conditions of the phonon bath…
We apply the Merrifield variational method to the Holstein molecular crystal model in D dimensions to compute non-adiabatic polaron band energies and Franck-Condon factors at general crystal momenta. We analyze these observable properties…