相关论文: Vibron Self--trapped States in Biological Macromol…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…
The ground state of the Holstein molecular crystal model in one dimension is studied using the Global-Local variational method, analyzing in particular the total energy, kinetic energy, phonon energy, and interaction energy over a broad…
The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into self-induced deformation fields, forming self-trapped…
A simple variational displacement phonon basis, obtained through the modified Lang-Firsov (MLF) transformation, is proposed to study the Holstein model.This phonon basis contains only one variational parameter, but capable of describing…
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 convergent perturbation method using modified Lang Firsov transformation is developed for a two-site single-polaron system. The method is applicable for the entire range of the electron-phonon coupling strength from the antiadiabatic…
An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large…
We study the hopping mechanism of the vibron excitation transport in the simple 1D model of biological macromolecular chains. We supposed that the vibron interaction with thermal oscillations of the macromolecular structural elements will…
Self-trapping of an electron due to its interaction with bending fluctuations in a flexible crystalline membrane is considered. Due to the dependence of the electron energy on the corrugations of the membrane, the electron can create around…
Within the standard model of many-body localization, i.e., the disordered chain of spinless fermions, we investigate how the interaction affects the many-body states in the basis of noninteracting localized Anderson states. From this…
In [Phys. Rev. Lett. 128, 013001 (2022)] a novel ground state method was proposed. It has been suggested that this $i$-DMFT would be a method within one-particle reduced density matrix functional theory (DMFT), capable of describing…
The properties of the intramolecular vibrational excitation (vibron) in a quasi 1D macromolecular structure are studied. It is supposed that due to the vibron interaction with optical phonon modes, a vibron might form partially dressed…
Using the perturbation method based on a variational phonon basis obtained by the modified Lang-Firsov (MLF) transformation, the two-site single polaron Holstein model is studied in presence of a difference in bare site energies…
The paper deals with the ground and the first excited state of the polaron in the one dimensional Holstein model. Various variational methods are used to investigate both the weak coupling and strong coupling case, as well as the crossover…
A novel robust mechanism for the generation of "trapping states" is shown to exist in the coupling of a two-level system with an oscillator, which is based on nonlinearities in the laser-induced vibronic coupling. This mechanism is…
The two-site two-electron Holstein model is studied within a perturbation method based on a variational phonon basis obtained through the modified Lang-Firsov (MLF) transformation. The ground-state wave function and the energy are found out…
The influence of the intramolecular anharmonicity and the strong vibron-phonon coupling on the two-vibron dynamics in an $\alpha$-helix protein is studied within a modified Davydov model. The intramolecular anharmonicity of each amide-I…
Trapping macromolecules is impoartant for the study of their conformations, interactions, dynamics and kinetic processes. Here, we develop a variational approach which self-consistently introduces a mean force that controls the…
A translation invariant N-polaron system is investigated at arbitrary electron-phonon coupling strength, using a variational principle for path integrals for identical particles. An upper bound for the ground state energy is found as a…
We study theoretically the transport properties of a molecular two level system with large electron-vibron coupling in the Coulomb blockade regime. We show that when the electron-vibron coupling induces polaron states, the current-voltage…