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Out of Equilibrium
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Research
Publications
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#Mathematics in chemistry
#Afterlife
Out of Equilibrium
Home
Research
Publications
Lectures
Events
#Mathematics in chemistry
#Afterlife
Home
Research
Publications
Lectures
Events
#Mathematics in chemistry
#Afterlife
Filtering by: “Publications”

Nov
25
Publications

What operators are important for the density matrix during the non-adiabatic interaction?

  • Wednesday, November 25, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Computing the non-adiabatic dynamics by observables. Beginning of a new project! So excited :D

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Aug
6
Publications

How to compute the nuclear dynamics on a quantum computer?

  • Thursday, August 6, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Mapping the algebra of pure electronic degrees of freedom onto a pure vibrational Hilbert space. See an example in our recent paper in J. Phys. Chem. Lett.!

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Mar
30
Publications

New paper: Electron-nuclei correlations in ultrafast field induced dynamics on dissociative states

  • Monday, March 30, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Our paper about electron-nuclei correlations in ultrafast field induced dynamics of LiH is published in the special issue of J. Phys. B: At., Mol. Opt. Phys.! In this work we focus on the question of how mass of the nuclei affects the non-adiabatic transfer during the dynamics on dissociative potentials. See details here

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Location: R.D. Levine group, Fritz-Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem

 

Contact: Dr. Ksenia Komarova, Curriculum vitae,

ksenia.komarova[at]mail.huji.ac.il

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