相关论文: Maximally localized Wannier functions: Theory and …
It is well known that a particle in a periodic potential with an additional constant force performs Bloch oscillations. Modulating every second period of the potential, the original Bloch band splits into two subbands. The dynamics of…
The position operator (defined within the Schroedinger representation in the standard way) becomes meaningless when periodic boundary conditions are adopted for the wavefunction, as usual in condensed matter physics. We show how to define…
Phase-space representations as given by Wigner functions are a powerful tool for representing the quantum state and characterizing its time evolution in the case of infinite-dimensional quantum systems and have been widely used in quantum…
Phase spaces as given by the Wigner distribution function provide a natural description of infinite-dimensional quantum systems. They are an important tool in quantum optics and have been widely applied in the context of time-frequency…
In designing and optimizing new-generation nanomaterials and related quantum devices, dissipation versus decoherence phenomena are often accounted for via local scattering models, such as relaxation-time and Boltzmann-like schemes. Here we…
The nontrivial evolution of Wannier functions (WF) for the occupied bands is a good starting point to understand topological insulator. By modifying the definition of WFs from the eigenstates of the projected position operator to those of…
We consider stationary and propagating solutions for a Bose-Einstein condensate in a periodic optical potential with an additional confining optical or magnetic potential. Using an effective mass approximation we express the condensate…
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
Let $L$ be a periodic self-adjoint linear elliptic operator in $\R^n$ with coefficients periodic with respect to a lattice $\G$, e.g. Schr\"{o}dinger operator $(i^{-1}\partial/\partial_x-A(x))^2+V(x)$ with periodic magnetic and electric…
Justification of tight-binding model from Schroedinger formalism for various topologies of position-based semiconductor qubits is presented in this work. Simplistic tight-binding model allows for description of single-electron devices at…
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…
A large class of quantum field theories on 1+1 dimensional Minkowski space, namely, certain integrable models, has recently been constructed rigorously by Lechner. However, the construction is very abstract and the concrete form of local…
The wave function of a non-relativistic particle in a periodic potential admits oscillatory solutions, the Bloch waves. In the presence of a random noise contribution to the potential the wave function is localized. We outline a new proof…
This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material systems. The deep potential molecular…
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in inaccurate predictions of quantities such as energy band…
The Mori-Zwanzig projection operator formalism is a powerful method for the derivation of mesoscopic and macroscopic theories based on known microscopic equations of motion. It has applications in a large number of areas including fluid…
Koopmans spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is achieved by augmenting standard density functionals with simple…
In this paper we consider Wannier functions of quasi-periodic g-gap ($g\geq 1$) potentials and investigate their main properties. In particular, we discuss the problem of averaging underlying the definition of Wannier functions for both…
A general analysis of undistorted propagation of localized wavepackets in photonic crystals based on a Wannier-function expansion technique is presented. Different kinds of propagating and stationary spatio-temporal localized waves are…