Related papers: Basic formulation and first-principles implementat…
Predicting phenomena that mix few-photon quantum optics with strong field nonlinear optics is hindered by the use of separate theoretical formalisms for each regime. We close this gap with a unified effective field theory valid for…
Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical…
A concept of a family of unique backward-wave photonic devices, such as frequency up and down converting nonlinear-optical mirrors, sensors, modulators, filters and amplifiers is proposed. Novel materials are considered, which support…
We study the perturbative approach to the Wilsonian integration of noncommutative gauge theories in the matrix representation. We begin by motivating the study of noncommutative gauge theories and reviewing the matrix formulation. We then…
Using density functional theory (DFT) and linear response approaches, we compute the on-site Hubbard interaction $U$ of elemental Terbium (Tb) metal in the pressure range $\sim 0-65$ GPa. The resulting first-principles $U$ values with…
To address the magnetization dynamics in ferromagnetic materials described by the Landau-Lifshitz-Gilbert equation under large damping parameters, a third-order accurate numerical scheme is developed by building upon a second-order method…
Recent experimental work has demonstrated optical control of spin wave emission by tuning the shape of the optical pulse (Satoh et al.\ Nature Photonics, 6, 662 (2012)). We reproduce these results and extend the scope of the control by…
Our main interest here is to analyze the gauge invariance issue concerning the noncommutative relativistic particle. Since the analysis of the constraint set from Dirac's point of view classifies it as a second-class system, it is not a…
We present a first principles molecular dynamics approach that is based on time-reversible ex- tended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field…
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the traditional solid-state approach to the investigation of…
We present a systematic derivation of the constraints that the relativity principle imposes between coefficients of a deformed (but rotational invariant) momentum composition law, dispersion relation, and momentum transformation laws, at…
First-principles calculations based on Density functional theory (DFT) and Heyd, Scuseria and Ernzerhof (HSE) adopt PBE approximation-a new version of the generalized gradient approximation (GGA). It has studied lattice parameter,…
We study inference in models where a transformation of parameters exhibits first-order degeneracy -- that is, its gradient is zero or close to zero, making the standard delta method invalid. A leading example is causal mediation analysis,…
We solve the wave equation with periodically time-modulated material parameters in a one-dimensional high-contrast resonator structure in the subwavelength regime exactly, for which we compute the subwavelength quasifrequencies numerically…
We introduce N-parameter perturbation theory as a new tool for the study of non-linear relativistic phenomena. The main ingredient in this formulation is the use of the Baker-Campbell-Hausdorff formula. The associated machinery allows us to…
The development of optical metamaterials has resulted in the demonstration of remarkable physical properties, including cloaking, optical magnetism, and negative refraction. The latter has attracted particular interest, mainly because of…
Restrictions imposed by gauge invariance in noncommutative spaces together with the effects of ultraviolet/infrared mixing lead to strong constraints on possible candidates for a noncommutative extension of the Standard Model. We study a…
Surface magnetic properties of perovskite manganites have been a recurrent topic during last years since they play a major role in the implementation of magnetoelectronic devices. Magneto-optical techniques, such as X-ray magnetic circular…
We derive the equations of nonlinear magnetoelastostatics using several variational formulations involving the mechanical deformation and an independent field representing the magnetic component. An equivalence is also discussed, modulo…
The theoretical description of materials' properties driven out of equilibrium has important consequences in various fields such as semiconductor spintronics, nonlinear optics, continuous and discrete quantum information science and…