Related papers: On-the-fly ab initio semiclassical evaluation of t…
This paper introduces a generalised 3rd-order Spectral Representation Method for the simulation of multi-dimensional stochastic fields with asymmetric non-linearities. The simulated random fields satisfy a prescribed Power Spectrum and…
We theoretically investigate electron energy loss spectroscopy (EELS) of metallic nanoparticles in the optical frequency domain. Using a quasistatic approximation scheme together with a plasmon eigenmode expansion, we show that EELS can be…
Three-dimensional (3D) metals/semimetals under magnetic field have an instability toward a density wave (DW) ordering which breaks a translational symmetry along the field direction. Effective boson models for the DW phases take forms of XY…
An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…
We present a spectrally accurate, efficient FFT-based method for the three-dimensional free-space Poisson equation with smooth, compactly supported sources. The method adopts a super-potential formulation: we first compute the convolution…
Many applications in science call for the numerical simulation of systems on manifolds with spherical topology. Through use of integer spin weighted spherical harmonics we present a method which allows for the implementation of arbitrary…
We evaluate the two-point functions of the electromagnetic field in (D+1) -dimensional spatially flat Friedmann-Robertson-Walker universes with a power-law scale factor, assuming that the field is prepared in the Bunch-Davies vacuum state.…
This paper presents a performance analysis of the MUltiple SIgnal Classification (MUSIC) algorithm applied on $D$ dimensional single-snapshot spectral estimation while $s$ true frequencies are located on the continuum of a bounded domain.…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic and spectroscopic applications. The method involves solving…
The spectral weight functions and the optical conductivity of the Holstein model are studied on a one-dimensional six-site lattice with periodic boundary conditions for three different electron concentrations: a single electron, two…
Recent interest in the role of quantum mechanics in the primary events of photosynthetic energy transfer has led to a convergence of nonlinear optical spectroscopy and quantum optics on the topic of energy-transfer dynamics in…
We investigate the dynamical effects of electron-phonon coupling (EPC) on the superconducting properties of two-dimensional (2D) systems, calculating the Eliashberg function in terms of dynamically renormalized phonons. By studying…
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…
We study the spectral properties of electron quantum dots (QDs) confined in 2D parabolic harmonic oscillator influenced by external uniform electrical and magnetic fields together with an Aharonov-Bohm (AB) flux field. We use the…
Within density-functional theory, perturbation theory~(PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities, dielectric constants, and…
Supersymmetrical intertwining relations of second order in derivatives allow to construct a two-dimensional quantum model with complex potential, for which {\it all} energy levels and bound state wave functions are obtained analytically.…
Electro-optic (EO) effects relate the change of optical constants by low-frequency electric fields. Thanks to the advent of Density Functional Perturbation Theory (DFPT), the EO properties of bulk three-dimensional (3D) materials can now be…
The surface plasmonic waves excited by a vertical or horizontal oriented Hertzian dipole above anisotropic and spatially dispersive two-dimensional surfaces of infinite extent embedded in planarly layered uniaxial media is investigated…
In this thesis, we describe some recent results obtained in the analysis of two-dimensional quantum field theories by means of semiclassical techniques. These achievements represent a natural development of the non-perturbative studies…