Related papers: Ab Initio Polaron Wave Functions
We obtain analytical expressions for the large- and small-radius polarons on the one-dimensional lattice in the TBA approximation. The equations of motion for this model are treated classically for the oscillator subsystem, while a quantum…
The ground-state energy, the addition energies and the optical absorption spectra are derived for interacting polarons in parabolic quantum dots in three and two dimensions. A path integral formalism for identical particles is used in order…
We theoretically investigate the behavior of a mobile impurity immersed in a one-dimensional quasi-periodic Fermi system with topological $p$-wave superfluidity. This polaron problem is solved by using a standard variational approach, the…
The application of optical lattices allows a tuning of the geometry of Bose-Einstein condensates to effectively reduced dimensions. In the context of solid state physics the consideration of the low-dimensional Fr\"ohlich polaron results in…
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the…
We describe the implementation of total angular momentum dependent pseudopotentials in a plane wave formulation of density functional theory. Our approach thus goes beyond the scalar-relativistic approximation usually made in ab initio…
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and…
Exact diagonalization calculations show a continuous transition from delocalized to small polaron behavior as a function of intersite electron-lattice coupling. A transition, found previously at Hartree-Fock level [Yonemitsu et al., Phys.…
New variational ansatz for the large-radius Fr\"ohlich polaron is considered. The corresponding operator estimation for the energy of polaron proves to be very similar to the result found by Feynman on the basis of the variational principle…
In this work, we present a theoretical study of polaron states in a double quantum dot system. We present realistic calculations which combine 8 band \kp model, configuration interaction approach and collective modes method. We investigate…
We have calculated the zero-temperature binding energy of a single impurity atom immersed in a Bose-Einstein condensate of ultracold atoms that are trapped in an axially symmetric harmonic potential, where the impurity interacts with…
The properties of mobile impurities in quantum magnets are fundamental for our understanding of strongly correlated materials and may play a key role in the physics of high-temperature superconductivity. Hereby, the motion of hole-like…
Starting from the $\pi$-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron-electron interactions, we propose some strongly correlated wave functions of increasing quality for the ground…
Bose polarons are quasiparticles formed through the interaction between impurities and Bose-Einstein condensates. In this paper, we derive an effective Fr\"{o}hlich Hamiltonian using the generalized Bogoliubov transformation. The effective…
We study the Fr\"ohlich polaron model in $\mathbb{R}^3$, and prove a lower bound on its ground state energy as a function of the total momentum. The bound is asymptotically sharp at large coupling. In combination with a corresponding upper…
In this paper estimates on the ground state energy of Fr\"ohlich $N$-polarons in electromagnetic fields in the strong coupling limit, $\alpha\to\infty$, are derived. It is shown that the ground state energy is given by $\alpha^2$ multiplied…
We study the dynamics of large polarons described by the Froehlich Hamiltonian in the limit of strong coupling. The initial conditions are (perturbations of) product states of an electron wave function and a phonon coherent state, as…
It is shown that the bipolaron ground state is described by a delocalized wave function. For a two-parameter wave function, the lowest variation estimate of the ground state energy in the strong coupling limit is found to be $E=- 0,414125…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…