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Title: Final Report for Department of Energy Project DE-SC0012198

Abstract

The study of the motion of atoms in molecules is important to understanding many areas of physical and life sciences. Such motion occurs on many different times scales, with electronic motion occurring on a sub-femtosecond time scale, and simple vibrational motion in tens to hundreds of femtoseconds. One way to follow such processes in real time is by the use of short-pulsed lasers, and in particular by studying time-resolved photoionization and the related process of high-harmonic generation (HHG). Thus there has been much effort to develop the tools necessary to probe molecular systems using short pulse lasers and understanding the sensitivity of the different possible probes to the time dependent geometric structure as well as the electronic structure of molecules. Our research has particularly focused on the connection between high-field processes and the more traditional weak field photoionization processes. Strong field and weak field processes can be connected through models that involve the same matrix elements. We have demonstrated in our study of HHG from SF6 that the spectrum is sensitive to the interplay between the angular dependence of the ionization step and recombination step. In our study of rescattering spectroscopy, we have shown that with a combination of experimentmore » and theory, we can use this high-field spectroscopy to determine molecular structure in molecules such as C2H4. We have also developed new computational tools based on overset grids to enable studies on larger molecular systems which use much more robust numerical approaches so that the resulting code can be a tool that non-specialists can use to study related systems.« less

Authors:
 [1];  [1];  [1]
  1. Texas A & M Univ., College Station, TX (United States)
Publication Date:
Research Org.:
Texas A & M Univ., College Station, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1378835
Report Number(s):
DOE-TAMU-12198
DOE Contract Number:  
SC0012198
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; molecule high-harmonic generation electron-molecule collisions

Citation Formats

Lucchese, Robert, Poliakoff, Erwin, and Trallero-Herrero, Carlos. Final Report for Department of Energy Project DE-SC0012198. United States: N. p., 2017. Web. doi:10.2172/1378835.
Lucchese, Robert, Poliakoff, Erwin, & Trallero-Herrero, Carlos. Final Report for Department of Energy Project DE-SC0012198. United States. doi:10.2172/1378835.
Lucchese, Robert, Poliakoff, Erwin, and Trallero-Herrero, Carlos. Wed . "Final Report for Department of Energy Project DE-SC0012198". United States. doi:10.2172/1378835. https://www.osti.gov/servlets/purl/1378835.
@article{osti_1378835,
title = {Final Report for Department of Energy Project DE-SC0012198},
author = {Lucchese, Robert and Poliakoff, Erwin and Trallero-Herrero, Carlos},
abstractNote = {The study of the motion of atoms in molecules is important to understanding many areas of physical and life sciences. Such motion occurs on many different times scales, with electronic motion occurring on a sub-femtosecond time scale, and simple vibrational motion in tens to hundreds of femtoseconds. One way to follow such processes in real time is by the use of short-pulsed lasers, and in particular by studying time-resolved photoionization and the related process of high-harmonic generation (HHG). Thus there has been much effort to develop the tools necessary to probe molecular systems using short pulse lasers and understanding the sensitivity of the different possible probes to the time dependent geometric structure as well as the electronic structure of molecules. Our research has particularly focused on the connection between high-field processes and the more traditional weak field photoionization processes. Strong field and weak field processes can be connected through models that involve the same matrix elements. We have demonstrated in our study of HHG from SF6 that the spectrum is sensitive to the interplay between the angular dependence of the ionization step and recombination step. In our study of rescattering spectroscopy, we have shown that with a combination of experiment and theory, we can use this high-field spectroscopy to determine molecular structure in molecules such as C2H4. We have also developed new computational tools based on overset grids to enable studies on larger molecular systems which use much more robust numerical approaches so that the resulting code can be a tool that non-specialists can use to study related systems.},
doi = {10.2172/1378835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Sep 06 00:00:00 EDT 2017},
month = {Wed Sep 06 00:00:00 EDT 2017}
}

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