scholarly journals High harmonic spectra computed using time-dependent Kohn-Sham theory with Gaussian orbitals and a complex absorbing potential

2021 ◽  
Author(s):  
Ying Zhu ◽  
John Herbert
Keyword(s):  
High Harmonic ◽  
Harmonic Spectrum ◽  
Time Dependent ◽  
Strong Laser Field ◽  
Reflected Waves ◽  
Peak Broadening ◽  
Sham Equation ◽  
Gaussian Representation ◽  
Gaussian Orbitals ◽  
The Fourier Transform

High harmonic spectra for H2 are simulated by solving the time-dependent Kohn-Sham equation in the presence of a strong laser field, using an atom-centered Gaussian representation of the orbitals and a complex absorbing potential to mitigate artifacts associated with the finite extent of the basis functions, such as spurious reflection of the outgoing electronic wave packet. Interference between the outgoing and reflected waves manifests in the Fourier transform of the time-dependent dipole moment function and leads to peak broadening in the high harmonic spectrum as well as the appearance of spurious peaks at energies well above the cutoff energy at which the harmonic progression is expected terminate. We demonstrate that well-resolved spectra can be obtained through the use of an atom-centered absorbing potential. As compared to grid-based algorithms for solving the time-dependent Kohn-Sham equations, the present approach is more readily extendible to larger polyatomic molecules.

scholarly journals Quantum-Optical Spectrometry in Relativistic Laser–Plasma Interactions Using the High-Harmonic Generation Process: A Proposal

Photonics ◽  
2021 ◽  
Vol 8 (6) ◽  
pp. 192
Author(s):  
Theocharis Lamprou ◽  
Rodrigo Lopez-Martens ◽  
Stefan Haessler ◽  
Ioannis Liontos ◽  
Subhendu Kahaly ◽  
...  
Keyword(s):  
Harmonic Generation ◽  
Quantum Electrodynamics ◽  
Laser Field ◽  
High Harmonic ◽  
Intense Laser ◽  
Strong Laser Field ◽  
Laser Plasma Interactions ◽  
Strong Laser ◽  
Optical Spectrometry ◽  
Quantum Optical

Quantum-optical spectrometry is a recently developed shot-to-shot photon correlation-based method, namely using a quantum spectrometer (QS), that has been used to reveal the quantum optical nature of intense laser–matter interactions and connect the research domains of quantum optics (QO) and strong laser-field physics (SLFP). The method provides the probability of absorbing photons from a driving laser field towards the generation of a strong laser–field interaction product, such as high-order harmonics. In this case, the harmonic spectrum is reflected in the photon number distribution of the infrared (IR) driving field after its interaction with the high harmonic generation medium. The method was implemented in non-relativistic interactions using high harmonics produced by the interaction of strong laser pulses with atoms and semiconductors. Very recently, it was used for the generation of non-classical light states in intense laser–atom interaction, building the basis for studies of quantum electrodynamics in strong laser-field physics and the development of a new class of non-classical light sources for applications in quantum technology. Here, after a brief introduction of the QS method, we will discuss how the QS can be applied in relativistic laser–plasma interactions and become the driving factor for initiating investigations on relativistic quantum electrodynamics.

scholarly journals Role of Exchange and Correlation in High-Harmonic Generation Spectra of H2, N2 and CO2: Real-Time Time-Dependent Electronic-Structure Approaches

2020 ◽  
Author(s):  
Emanuele Coccia ◽  
Eleonora Luppi ◽  
Carlo Federico Pauletti
Keyword(s):  
Real Time ◽  
Harmonic Generation ◽  
Density Functional ◽  
High Harmonic ◽  
High Harmonic Generation ◽  
Time Dependent ◽  
Basis Sets ◽  
Gaussian Basis Sets ◽  
Hartree Fock ◽  
Exchange And Correlation

<p>This study arises from the attempt to answer the following question: how different descriptions of electronic exchange and correlation affect the high-harmonic generation (HHG) spectroscopy of H2, N2 and CO2 molecules? We compare HHG spectra for H2, N2 and CO2 with different ab initio electronic structures methods: real-time time-dependent configuration interaction (RT-TDCIS) and real-time time-dependent density functional theory (RT-TDDFT) using truncated basis sets composed of correlated wave functions expanded on Gaussian basis sets. In the framework of RT-TDDFT, we employ PBE and LC-ωPBE functionals. We study HHG spectroscopy by disentangling the effect of electronic exchange and correlation. We first analyse the electronic exchange alone and in the case of RT-TDDFT with LC-ωPBE, we use ω = 0.3 and ω = 0.4 to tune the percentage of long-range Hartree-Fock exchange and of short-range exchange PBE. Then, we added the correlation as described by PBE functional. All the methods give very similar HHG spectra and they seem not to be particularly sensitive to the different description of exchange and correlation or to the correct asymptotic behaviour of the Coulomb potential. Despite this general trend, some differences are found in the region connecting the cutoff and the background. Here, the harmonics can be resolved with different accuracy depending on the theoretical schemes used. We believe that the investigation of the molecular continuum and its coupling with strong fields merits further theoretical investigations in the next future. </p>

Imaginary-Time Time-Dependent Density Functional Calculation of Excited States of Atoms Using CWDVR Approach

2021 ◽  
Vol 323 ◽  
pp. 14-20
Author(s):  
Naranchimeg Dagviikhorol ◽  
Munkhsaikhan Gonchigsuren ◽  
Lochin Khenmedekh ◽  
Namsrai Tsogbadrakh ◽  
Ochir Sukh
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Discrete Variable ◽  
Coulomb Wave Function ◽  
Discrete Variable Representation ◽  
Density Functional Calculation ◽  
Imaginary Time ◽  
Sham Equation ◽  
Variable Representation

We have calculated the energies of excited states for the He, Li, and Be atoms by the time dependent self-consistent Kohn Sham equation using the Coulomb Wave Function Discrete Variable Representation CWDVR) approach. The CWDVR approach was used the uniform and optimal spatial grid discretization to the solution of the Kohn-Sham equation for the excited states of atoms. Our results suggest that the CWDVR approach is an efficient and precise solutions of excited-state energies of atoms. We have shown that the calculated electronic energies of excited states for the He, Li, and Be atoms agree with the other researcher values.

Fingerprint of Self-Compression in the High Harmonic Spectrum from a Filament

2014 ◽  
Author(s):  
Carsten Bree ◽  
Martin Kretschmar ◽  
Tamas Nagy ◽  
Michael Hofmann ◽  
Ayhan Demircan ◽  
...  
Keyword(s):  
High Harmonic ◽  
Harmonic Spectrum

REAL-TIME APPROACH TO TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY IN THE LINEAR AND NONLINEAR REGIME

2009 ◽  
Vol 08 (04) ◽  
pp. 561-574 ◽  
Author(s):  
MICHAEL MUNDT
Keyword(s):  
Density Functional Theory ◽  
Real Time ◽  
Density Functional ◽  
High Harmonic ◽  
External Perturbation ◽  
Real Space ◽  
Time Dependent ◽  
Functional Theory ◽  
Linear And Nonlinear ◽  
Dependent Density

The linear and nonlinear response of Si 4 and Na 4 to an external perturbation is investigated in the framework of time-dependent density-functional theory. The time-dependent Kohn–Sham equations, which are the central equations in this approach, are solved in real space and real time. A parallelized implementation to solve these nonlinear, one-particle Schrödinger equations is presented. In contrast to Na 4, Si 4 shows high-harmonic generation far beyond the cut-off predicted by the quasiclassical model and predictions for extended systems.

Nonholonomic Motion Planning Using Diffusion of Workspace Density Functions

2003 ◽  
Author(s):  
Yu Zhou ◽  
Gregory S. Chirikjian
Keyword(s):  
Planck Equation ◽  
Probability Density Functions ◽  
Time Dependent ◽  
Density Functions ◽  
Value Of Time ◽  
Nonholonomic Mobile Robots ◽  
Planning Algorithm ◽  
The Fourier Transform ◽  
Nonholonomic Motion Planning ◽  
Closed Form Approximation

This paper introduces a trajectory planning algorithm for nonholonomic mobile robots which operate in an environment with obstacles. An important feature of our approach is that the planning domain is the workspace of the mobile robot rather than its configuration space. The basic idea is to imagine the robot being subjected to Brownian motion forcing, and to generate evolving probability density functions (PDF) that describe all attainable positions and orientations of the robot at a given value of time. By planning a path that optimizes the value of this PDF at each instant in time, we generate a feasible trajectory. The PDF of robot pose can be constructed by solving the corresponding Fokker-Planck equation using the Fourier transform for SE(N). A closed-form approximation of the resulting time-dependent PDF is then used to plan a trajectory based on the observation that the evolution of this “workspace density” is a diffusion process. Examples are provided to illustrate the algorithm.

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