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Title: An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules

Multidimensional wave function: a superposition of Gaussian coherent states guided by Ehrenfest trajectories suited to clone and swap their electronic amplitudes.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ;  [2] ;  [3] ;  [4]
  1. Universidad Nacional de Quilmes, B1876BXD Bernal, Argentina
  2. School of Chemistry, University of Leeds, Leeds LS2 9JT, UK, School of Mathematics
  3. Center for Nonlinear Studies (CNLS), and Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, USA
  4. School of Chemistry, University of Leeds, Leeds LS2 9JT, UK
Publication Date:
Grant/Contract Number:
DEAC52-06NA25396
Type:
Published Article
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Volume: 20; Journal Issue: 26; Related Information: CHORUS Timestamp: 2018-07-04 05:40:04; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1454892