Imperial College London
Portrait Picture

ProfessorVitaliAverbukh

Faculty of Natural Sciences, Department of Physics

Professor of Molecular Physics
 
 
 
//

Contact

 

+44 (0)20 7594 7746v.averbukh Website

 
 
//

Location

 

209Blackett LaboratorySouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@article{Ruberti:2018:10.1021/acs.jctc.8b00479,
author = {Ruberti, M and Decleva, P and Averbukh, V},
doi = {10.1021/acs.jctc.8b00479},
journal = {J Chem Theory Comput},
title = {Full Ab Initio Many-Electron Simulation of Attosecond Molecular Pump-Probe Spectroscopy.},
url = {http://dx.doi.org/10.1021/acs.jctc.8b00479},
year = {2018}
}
Download

RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Here, we present an ab initio approach to full simulation of an attosecond molecular pump-probe experiment. Sequential molecular double ionization by the pump and probe laser pulses with controlled delay is described from first-principles with a full account of the continuum dynamics of the photoelectrons. Many-electron bound-continuum dynamics is simulated using the time-dependent (TD) molecular B-spline algebraic diagrammatic construction (ADC) method. Our calculations give a quantitative prediction about the creation of a coherent superposition of molecular ionic states in the photoionization process and simulate the probe of the ensuing attosecond dynamics by a second ionizing pulse within a single first-principles many-electron framework. We therefore demonstrate the capability to simulate and interpret the results of a prototypical molecular pump-probe experiment of interest in attoscience. As a particular example, we simulate and elucidate the interpretation of a pump-probe experiment in CO2 aimed at measuring strong field-induced hole dynamics via photoionization yields.
AU  - Ruberti,M
AU  - Decleva,P
AU  - Averbukh,V
DO  - 10.1021/acs.jctc.8b00479
PY  - 2018///
TI  - Full Ab Initio Many-Electron Simulation of Attosecond Molecular Pump-Probe Spectroscopy.
T2  - J Chem Theory Comput
UR  - http://dx.doi.org/10.1021/acs.jctc.8b00479
UR  - https://www.ncbi.nlm.nih.gov/pubmed/30180561
ER  -
Download