Related papers: Efficient ab-initio method for the calculation of …
We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational…
We consider the efficient numerical approximation of acoustic wave propagation in time domain by a finite element method with mass lumping. In the presence of internal damping, the problem can be reduced to a second order formulation in…
With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second…
We consider the interaction of gapped graphene in the two-band approximation using an explicit time-dependent approach. In addition to the full high-order harmonic generation (HHG) spectrum, we also obtain the perturbative harmonic response…
Nonlinear optical phenomena are widely used for the study of semiconductor materials. The paper presents an overview of experimental and theoretical studies of excitons by the method of optical second and third harmonics generation in…
We consider the region of small transverse momenta in the production of high-mass systems in hadronic collisions. By using the current knowledge on the infrared behaviour of tree-level and one-loop QCD amplitudes at O(alpha_s^2), we…
The intrinsic difficulties in extracting the hadron resonances from reaction data are illustrated by using several exactly soluble $\pi\pi$ scattering models. The finite-volume Hamiltonian method is applied to predict spectra using two…
Amplitude estimation, in its original form, is formulated as phase estimation upon the Grover iterate. Subsequent improvements to the algorithm have eliminated the need for phase estimation and introduced low-depth variants that trade…
A simple and flexible technique for achieving quasi-phase-matching in integrated photonic waveguides without periodic poling is proposed and experimentally demonstrated, referred to as mode-shape-modulation (MSM). It employs a periodic…
We present and test a new numerical method to determine second-order Lagrangian displacement fields in the context of modified gravity (MG) theories. We start from the extension of Lagrangian Perturbation Theory to a class of MG models that…
Using the microscopic nonlinear quantum theory of interaction of strong coherent electromagnetic radiation with a gapped bilayer graphene is developed for high harmonic generation at low-energy photon excitation-induced Lifshitz…
In this work, we develop a new framework for computing atom-resolved contributions to optical properties based on atoms-in-molecules (AIM) schemes. The formalism is independent of the specific AIM method and is made rigorous by partitioning…
Light generation through optical harmonics plays a pivotal role in photonics, driving innovations in coherent light sources, biological imaging, and spectroscopy. Traditional methods for tuning optical harmonics, including electrostatic…
Recent advances in fundamental performance limits for power quantities based on Lagrange duality are proving to be a powerful theoretical tool for understanding electromagnetic wave phenomena. To date, however, in any approach seeking to…
We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of…
The effective second-harmonic generation (SHG) coefficient is a crucial data that quantifies the efficiency of transforming fundamental frequency light into its second harmonic. With the help of the symmetry of nonlinear optical…
Second-order optical nonlinear effects (second-harmonic and sum-frequency generation) are demonstrated in the telecommunication band by periodic poling of thin films of lithium niobate wafer-bonded on silicon substrates and rib-loaded with…
Accurate modeling of electronic properties of nanostructures is a challenging theoretical problem. Methods making use of continuous media approximation, such as k.p, sometimes struggle to reproduce results obtained with more accurate…
In this paper, we developed a basis-independent perturbative method for calculating the non-linear optical response of arbitrary non-interacting tight-binding models. Our method is based on the non-equilibrium Keldysh formalism and allows…
Raman spectroscopy and Second Harmonic Generation (SHG) are complementary, non-destructive techniques that provide rich and distinct insights into the structural and electronic properties of materials. Raman spectroscopy offers detailed…