相关论文: DFT2kp: effective kp models from ab-initio data

The Kohn-Luttinger envelope-function method is generalized to the case of heterostructures with atomically sharp heterojunctions based on lattice-matched layers of related semiconductors with zinc-blende symmetry. For electron states near…

UV emitters based on the semiconductor alloy aluminium gallium nitride, (Al,Ga)N, have attracted significant interest in recent years due to their potential for optoelectronic devices. To guide the design of such devices with improved…

We study random Hamiltonians on finite-size cubes and waveguide segments of increasing diameter. The number of random parameters determining the operator is proportional to the volume of the cube. In the asymptotic regime where the cube…

We develop a topological classification of non-Hermitian effective Hamiltonians that depend on momentum and frequency. Such effective Hamiltonians are in one-to-one correspondence to single-particle Green's functions of systems that satisfy…

We study two- and three-meson systems composed either of pions or kaons at maximal isospin using Monte Carlo simulations of lattice QCD. Utilizing the stochastic LapH method, we are able to determine hundreds of two- and three-particle…

Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…

We develop further the approach of Hubbard and Schofield (Phys.Lett., A40 (1972) 245), which maps the fluid Hamiltonian onto a magnetic one. We show that all coefficients of the resulting effective Landau-Ginzburg-Wilson (LGW) Hamiltonian…

Phosphorene, a single layer of black phosphorus, is a direct-band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural…

\textit{Ab initio} pseudo-atomic orbital (PAO) Hamiltonians express the electronic structure of a solid in a compact, localized basis that spans the same Hilbert space as a conventional Slater--Koster tight-binding model, thereby providing…

We present first results from the QCDSF collaboration for the kaon semileptonic decay form factors at zero momentum transfer, using two flavours of non-perturbatively O(a)-improved Wilson quarks. A lattice determination of these form…

The usual derivations of the S and K matrices for two-particle reactions proceed through the Lippmann-Schwinger equation with formal definitions of the incoming and outgoing scattering states. Here we present an alternative derivation that…

Recently the partial wave cutoff method was developed as a new calculational scheme for a functional determinant of quantum field theory in radial backgrounds. For the contribution given by an infinite sum of large partial waves, we derive…

With our recently proposed effective Hamiltonian via Monte Carlo, we are able to compute low energy physics of quantum systems. The advantage is that we can obtain not only the spectrum of ground and excited states, but also wave functions.…

Photon carries linear momentum and angular momentum simultaneously. Within the light-matter interaction process, exchange of linear momentum results in optical forces, whereas exchange of angular momentum leads to optical torques. Use of…

Hadronic form factors for the rare weak transitions $\Lambda_{b}\rightarrow\Lambda^{(*)}$ are calculated using a nonrelativistic quark model. The form factors are extracted in two ways. An analytic extraction using single component wave…

In this work we discuss in detail the non-perturbative determination of the momentum dependence of the form factors entering in semileptonic decays using unitarity and analyticity constraints. The method contains several new elements with…

We perform a two-loop calculation in Light Cone Perturbation Theory (LCPT) to evaluate the next-to-leading order nonsinglet splitting function. Our calculation demonstrates the methodology and feasibility of performing higher order…

We present a simple relativistic exact 2-component (X2C) Hamiltonian that models two-electron picture-change effects using Lehtola's superposition of atomic potentials (SAP) [S. Lehtola, J. Chem. Theory Comput. 15, 1593-1604 (2019)]. The…

We compute the gravitational form factors (GFFs) of the pion and kaon using their light-front wave functions within the Basis Light-Front Quantization framework. The wave functions are obtained by solving a light-front effective Hamiltonian…

An ab initio Hartree-Fock approach aimed at directly obtaining the localized orthogonal orbitals (Wannier functions) of a crystalline insulator is described in detail. The method is used to perform all-electron calculations on the ground…