Related papers: Wavefunctions for large systems as basis for elect…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Composites are ideally suited to achieve desirable multifunctional effective properties since the best properties of different materials can be judiciously combined with designed microstructures. Here we establish cross-property relations…
Second order perturbative corrections to electron wavefunction are calculated here at generalized temperature, for the first time. This calculation is important to prove the renormalizeability of QED through order by order cancellation of…
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a…
This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…
General theorem describing a relation between diagonal of one-electron density matrix and a certain class of many-electron ensembles of determinant states is proved. As a corollary to this theorem a constructive proof of sufficiency of…
Shell structure in the single particle spectrum of deformed harmonic oscillator potentials when a term proportional to $(\vec L)^2$ is added is analyzed for a large particle number. A scaling law which gives a dividing line between regular…
Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper, we first briefly revisit its definition and relation to…
Generalizing the classical Thomson problem to the quantum regime provides an ideal model to explore the underlying physics regarding electron correlations. In this work, we systematically investigate the combined effects of the geometry of…
The interaction of electrons with crystal lattice vibrations (phonons) and collective charge-density fluctuations (plasmons) influences profoundly the spectral properties of solids revealed by photoemission spectroscopy experiments.…
Symmetries of multi-anyon wavefunctions are analysed with the help of a second quantized formulation. Analogues of Slater determinants are constructed. It is shown that the Pauli principle is not enforced.
Electron dispersion forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, an accurate description of dispersion is highly challenging, with the most…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…
The scattering of electromagnetic waves by an obstacle is analyzed through a set of partial differential equations combining the Maxwell's model with the mechanics of fluids. Solitary type EM waves, having compact support, may easily be…
By introducing concepts of beam shaping into quantum mechanics, we show how interference effects of the quantum wavefunction describing multiple electrons can exactly balance the repulsion among the electrons. With proper shaping of the…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and thermodynamic properties, such as angle-resolved photoemission…
The rapid development of topological photonics and acoustics calls for accurate understanding of band topology in classical waves, which is not yet achieved in many situations. Here, we present the Wilson-loop approach for exact numerical…
An electron beam traversing a structured plasmonic field is shown to undergo diffraction with characteristic angular patterns of both elastic and inelastic outgoing electron components. In particular, a plasmonic {\it grating} (e.g., a…
A brief review is given of attempts to understand the energies of four-quark systems calculated on a lattice in terms of nuclear-physics-inspired many-body techniques involving interquark potentials. Results are given for the next stage of…