Related papers: A new self-consistent basis generation scheme for …
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 prove variationally that at weak coupling in one, two, and three dimensions there exist correlated electron-phonon states below the approximate ground states characteristically found by adiabatic polaron theory. Besides differing…
We develop a novel method for building a gravitational analog model for a flowing Bose-Einstein condensate. The analogue metric is obtained using effective field theory methods, integrating out the heavy radial fluctuations. In this way, we…
An equation of motion phonon method, developed for even nuclei and recently extended to odd systems with a valence particle, is formulated in the hole-phonon coupling scheme and applied to A=15 and A=21 isobars with a valence hole. The…
We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
The main quasi-particle characteristics of the one-dimensional polaron are estimated within and beyond the most general Gaussian approximation at arbitrary electron-phonon coupling. We have derived explicitly the ground-state energy and the…
We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the…
A variational method is used to derive a self-consistent macro-particle model for relativistic electromagnetic kinetic plasma simulations. Extending earlier work [E. G. Evstatiev and B. A. Shadwick, J. Comput. Phys., vol. 245, pp. 376-398,…
We present an approach to accelerate real-space electronic structure methods several fold, without loss of accuracy, by reducing the dimension of the discrete eigenproblem that must be solved. To accomplish this, we construct an efficient,…
We use the dynamical mean field theory to develop a systematic and computationally tractable method for studying electron-phonon interactions in systems with arbitrary electronic correlations. The method is formulated as an adiabatic…
Recent development of theoretical method for dissipative quantum transport have achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport at arbitrary…
A general exact theory of autoresonance (self-sustained resonance) in both dissipative and Hamiltonian nonautonomous systems is presented. The equations that together govern the autoresonance solutions and excitations are derived with the…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
A whole series of expressions for four species of multipoles (electric, magnetic, magnetic toroidal, and electric toroidal) is provided as a complete basis set to describe arbitrary single-centered spinful electron systems. A compact…
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.…
he formation of the optical polaron and bipolaron in two-dimensional (2D) systems are studied in the intermediate electron-phonon coupling regime. The total energies of 2D polaron and bipolaron are calculated by using the Buimistrov-Pekar…
We introduce a new variational method for the numerical homogenization of divergence form elliptic, parabolic and hyperbolic equations with arbitrary rough ($L^\infty$) coefficients. Our method does not rely on concepts of ergodicity or…
A method of the self-consistent calculation of the thermodynamical and correlation functions is presented. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…