Related papers: The Overlapping Muffin-Tin Approximation
We present a lattice method for determining scattering phase shifts and mixing angles for the case of an arbitrary number of coupled channels. Previous nuclear lattice effective field theory simulations were restricted to mixing of up to…
A new integration technique for multi-loop Feynman integrals, called the matrix method, is developed and then applied to the divergent part of the overlapping two-loop quark self-energy function $\,i\Sigma\,$ in the light- cone gauge. It is…
We use projector operators to correct the Kohn-Sham Hamiltonian of density functional theory (KS-DFT) so that the resulting mean-field scheme yields, in finite systems, virtual orbitals and energy gaps in better agreement with those…
We present a theoretical treatment of overdamped Brownian motion on a multidimensional tilted periodic potential that is analogous to the tight-binding model of quantum mechanics. In our approach we expand the continuous Smoluchowski…
Modification of optical phonon spectra in contacting nanoparticles as compared to the single ones is studied. Optical phonons in dielectric and semiconducting particles obey the Euclidean metric Klein-Fock-Gordon equation with Dirichlet…
We consider the nonlinear Schr{\"o}dinger equation with a short-range external potential, in a semi-classical scaling. We show that for fixed Planck constant, a com-plete scattering theory is available, showing that both the potential and…
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…
We study the computational complexity of approximately computing the partition function of a spin system. Techniques based on standard counting-to-sampling reductions yield $\tilde{O}(n^2)$-time algorithms, where $n$ is the size of the…
We show that scattering a quantum particle on a one-dimensional potential barrier as well as scattering the electromagnetic wave on a quasi-one-dimensional layered structure (both represent scattering problems with one 'source' and two…
We present a new, all-electron implementation of the GW approximation and apply it to wurtzite ZnO. Eigenfunctions computed in the local-density approximation (LDA) by the full-potential linearized augmented-plane-wave (LAPW) or the…
A theory of electronic Raman scattering in the presence of several energy bands crossing the Fermi surface is developed. The contributions to the light scattering cross section are calculated for each band and it is shown that the cross…
We present a scalable architecture for the exploration of interacting topological phases of photons in arrays of microwave cavities, using established techniques from cavity and circuit quantum electrodynamics. A time-reversal symmetry…
The modified Becke-Johnson exchange potential combined with local-density approximation correlation (mBJLDA) has recently attracted interest because it provides highly improved band gaps at a very low computational cost. In this work we…
In this master thesis, a new approximation scheme to non-relativistic potential scattering is developed and discussed. The starting points are two exact path integral representations of the T-matrix, which permit the application of the…
We develop a symmetry indicator framework to efficiently predict the topology of superlattice-induced minibands with spin-orbit coupling. Our algorithm requires input only from the parent material before the superlattice is applied. The…
We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the $N$th order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The…
In order to analytically capture and identify peculiarities in the electronic structure of silicene, Weaire-Thorpe(WT) model, a standard model for treating three-dimensional (3D) silicon, is applied to silicene with the buckled 2D…
We develop and test methods that include second and third-order perturbation theory (MP3) using orbitals obtained from regularized orbital-optimized second-order perturbation theory, $\kappa$-OOMP2, denoted as MP3:$\kappa$-OOMP2. Testing…
In the framework of unitary Glauber approximation for particle-atom scattering, we develop the general formalism of the Moliere-Fano multiple scattering theory (M-F theory) on the basis of reconstruction of the generalized optical theorem…
Here we embark on a thorough investigation of the magneto-optical absorption in semiconducting {\em spherical} quantum dots characterized by a confining harmonic potential and an applied magnetic field in the symmetric gauge. This is done…