نتایج جستجو برای: strongly correlatedsystem wannier function

تعداد نتایج: 1399746  

Journal: :IEEE Trans. Computers 2001
Anna Bernasconi Bruno Codenotti Jeffrey M. Vanderkam

In this note we prove that bent functions can be precisely characterized in terms of a special class of strongly regular graphs, thus providing a positive answer to a question raised in the paper Spectral Analysis of Boolean Functions as a Graph Eigenvalue Problem. (After publication of the above paper by the rst two authors, the third sent them a remark showing that bent functions are exactly ...

Journal: :Physical review letters 2003
Riccardo Sapienza Paola Costantino Diederik Wiersma Mher Ghulinyan Claudio J Oton Lorenzo Pavesi

We report on the observation of Bloch oscillations in light transport through periodic dielectric systems. By introducing a linear refractive index gradient along the propagation direction the optical equivalent of a Wannier-Stark ladder was obtained. Bloch oscillations were observed as time-resolved oscillations in transmission, in direct analogy to electronic Bloch oscillations in conducting ...

Journal: :Physical review letters 2008
V V Ivanov A Alberti M Schioppo G Ferrari M Artoni M L Chiofalo G M Tino

Atomic wave packets loaded into a phase-modulated vertical optical-lattice potential exhibit a coherent delocalization dynamics arising from intraband transitions among Wannier-Stark levels. Wannier-Stark intraband transitions are here observed by monitoring the in situ wave-packet extent. By varying the modulation frequency, we find resonances at integer multiples of the Bloch frequency. The r...

1998
Uwe Stephan David A. Drabold

We present a generalized projection-based order-N method which is applicable within nonorthogonal basis sets of spatially localized orbitals. The projection to the occupied subspace of a Hamiltonian, performed by means of a Chebyshev-polynomial representation of the density operator, allows the nonvariational computation of band-structure energies, density matrices, and forces for systems with ...

2000
Takeo Hoshi Takeo Fujiwara

The ‘order-N’ or ‘linear-systemsize-scaling’ methods 1) are electronic-structure calculations in which the computational cost is ‘O(N)’, or linearly proportional to the system-size N . In conventional schemes, the computational cost should be O(N), because of the matrix-diagonalization procedures or the orthogonalization constraints of the wavefunctions. The aim of order-N methods is to calcula...

Journal: :Computer Physics Communications 2010
Jesse Noffsinger Feliciano Giustino Brad D. Malone Cheol-Hwan Park Steven G. Louie Marvin L. Cohen

EPW (Electron-Phonon coupling using Wannier functions) is a program written in FORTRAN90 for calculating the electron-phonon coupling in periodic systems using density-functional perturbation theory and maximally-localized Wannier functions. EPW can calculate electron-phonon interaction self-energies, electron-phonon spectral functions, and total as well as mode-resolved electron-phonon couplin...

Journal: :Physical review 2022

In 1954, Vogt and Wannier (Phys. Rev. 95, 1190) predicted that the capture rate of a polarizable neutral atom or molecule by an ion should increase factor two compared to classical Langevin as collision energy approaches zero. This prediction has not been verified experimentally. The H$_2^+$ + H$_2$ reaction is ideally suited observe this effect, because small reduced mass makes quantum effects...

Journal: :Physical review letters 2008
Xifan Wu Massimiliano Stengel Karin M Rabe David Vanderbilt

We carry out first-principles calculations of the nonlinear dielectric response of short-period ferroelectric superlattices. We compute and store not only the total polarization, but also the Wannier-based polarizations of individual atomic layers, as a function of the electric displacement field, and use this information to construct a model capable of predicting the nonlinear dielectric respo...

Journal: :Physical review letters 2015
Maryam Taherinejad David Vanderbilt

We study the adiabatic pumping of the Chern-Simons axion (CSA) coupling along a parametric loop characterized by a nonzero second Chern number C^{(2)} from the viewpoint of the hybrid Wannier representation, in which the Wannier charge centers are visualized as sheets defined over a projected 2D Brillouin zone. We derive a new formula for the CSA coupling, expressing it as an integral involving...

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