Electronic Structure in Real Time: Femtosecond Photoelectron Spectroscopy using VUV photons produced by High Harmonic Generation

2006 ◽  
Author(s):  
Ph. Wernet ◽  
K. Godehusen ◽  
O. Schwarzkopf ◽  
J. Gaudin ◽  
W. Eberhardt
Keyword(s):  
Electronic Structure ◽  
Real Time ◽  
Harmonic Generation ◽  
Photoelectron Spectroscopy ◽  
High Harmonic ◽  
High Harmonic Generation

Electronic structure dynamics in a low bandgap polymer studied by time-resolved photoelectron spectroscopy

2016 ◽  
Vol 18 (31) ◽  
pp. 21921-21929 ◽  
Author(s):  
Ute B. Cappel ◽  
Stefan Plogmaker ◽  
Joachim A. Terschlüsen ◽  
Torsten Leitner ◽  
Erik M. J. Johansson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Harmonic Generation ◽  
Photoelectron Spectroscopy ◽  
High Harmonic ◽  
Time Of Flight ◽  
High Harmonic Generation ◽  
Time Resolved ◽  
Low Bandgap ◽  
Structure Dynamics

The excited electronic structure of PCPDTBT was measured by combining a high harmonic generation source and a time-of-flight spectrometer.

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>

scholarly journals Measurement of electronic structure from high harmonic generation in non-adiabatically aligned polyatomic molecules

2008 ◽  
Vol 10 (2) ◽  
pp. 025008 ◽  
Author(s):  
N Kajumba ◽  
R Torres ◽  
Jonathan G Underwood ◽  
J S Robinson ◽  
S Baker ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Harmonic Generation ◽  
High Harmonic ◽  
High Harmonic Generation ◽  
Polyatomic Molecules

scholarly journals Control of High-Harmonic Generation by Tuning the Electronic Structure and Carrier Injection

Nano Letters ◽  
2020 ◽  
Vol 20 (8) ◽  
pp. 6215-6221
Author(s):  
Hiroyuki Nishidome ◽  
Kohei Nagai ◽  
Kento Uchida ◽  
Yota Ichinose ◽  
Yohei Yomogida ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Harmonic Generation ◽  
High Harmonic ◽  
High Harmonic Generation ◽  
Carrier Injection

Measurement of electronic structure in molecular high harmonic generation

2012 ◽  
Author(s):  
Michael C. Wong ◽  
Jean-Paul Brichta ◽  
Abdullah H. Alharbi ◽  
Andrey E. Boguslavskiy ◽  
Ravi Bhardwaj
Keyword(s):  
Electronic Structure ◽  
Harmonic Generation ◽  
High Harmonic ◽  
High Harmonic Generation

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>

scholarly journals Observation of Electronic Structure Minima in High-Harmonic Generation

2009 ◽  
Vol 102 (10) ◽  
Author(s):  
Hans Jakob Wörner ◽  
Hiromichi Niikura ◽  
Julien B. Bertrand ◽  
P. B. Corkum ◽  
D. M. Villeneuve
Keyword(s):  
Electronic Structure ◽  
Harmonic Generation ◽  
High Harmonic ◽  
High Harmonic Generation

scholarly journals Real-time observation of interfering crystal electrons in high-harmonic generation

Nature ◽  
2015 ◽  
Vol 523 (7562) ◽  
pp. 572-575 ◽  
Author(s):  
M. Hohenleutner ◽  
F. Langer ◽  
O. Schubert ◽  
M. Knorr ◽  
U. Huttner ◽  
...  
Keyword(s):  
Real Time ◽  
Harmonic Generation ◽  
High Harmonic ◽  
High Harmonic Generation ◽  
Time Observation ◽  
Real Time Observation
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