skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dissipation and dynamics in ultrafast intersystem crossings

ORCiD logo [1]
  1. Department of Physics, Northern Illinois University, DeKalb, Illinois 60115, USA, Advanced Photon Source, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
FG02-03ER46097; AC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 2; Journal ID: ISSN 0021-9606
American Institute of Physics
Country of Publication:
United States

Citation Formats

van Veenendaal, Michel. Dissipation and dynamics in ultrafast intersystem crossings. United States: N. p., 2020. Web. doi:10.1063/1.5125005.
van Veenendaal, Michel. Dissipation and dynamics in ultrafast intersystem crossings. United States. doi:10.1063/1.5125005.
van Veenendaal, Michel. Tue . "Dissipation and dynamics in ultrafast intersystem crossings". United States. doi:10.1063/1.5125005.
title = {Dissipation and dynamics in ultrafast intersystem crossings},
author = {van Veenendaal, Michel},
abstractNote = {},
doi = {10.1063/1.5125005},
journal = {Journal of Chemical Physics},
number = 2,
volume = 152,
place = {United States},
year = {2020},
month = {1}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.5125005

Save / Share:

Works referenced in this record:

Vibronic Theory of Ultrafast Intersystem Crossing Dynamics in a Single Spin-Crossover Molecule at Finite Temperature beyond the Born–Oppenheimer Approximation
journal, February 2016

High-Efficiency Iron Photosensitizer Explained with Quantum Wavepacket Dynamics
journal, May 2016

  • Pápai, Mátyás; Vankó, György; Rozgonyi, Tamás
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 11
  • DOI: 10.1021/acs.jpclett.6b00711

Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations
journal, January 2014

  • Lorenz, U.; Saalfrank, P.
  • The Journal of Chemical Physics, Vol. 140, Issue 4
  • DOI: 10.1063/1.4862739

Femtosecond XANES Study of the Light-Induced Spin Crossover Dynamics in an Iron(II) Complex
journal, January 2009

Few-femtosecond passage of conical intersections in the benzene cation
journal, October 2017

Diabolical conical intersections
journal, October 1996

Effects of Configuration Interaction on Intensities and Phase Shifts
journal, December 1961

Ultrafast X-Ray Spectroscopy of Conical Intersections
journal, June 2018

Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
journal, May 2012

Ultrafast cascading theory of intersystem crossings in transition-metal complexes
journal, August 2010

Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes
journal, February 2015

  • Eng, Julien; Gourlaouen, Christophe; Gindensperger, Etienne
  • Accounts of Chemical Research, Vol. 48, Issue 3
  • DOI: 10.1021/ar500369r

Exceptional Excited-State Lifetime of an Iron(II)– N -Heterocyclic Carbene Complex Explained
journal, May 2014

  • Fredin, Lisa A.; Pápai, Mátyás; Rozsályi, Emese
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 12
  • DOI: 10.1021/jz500829w

Dynamics at Conical Intersections
journal, April 2018

Communication: Theoretical prediction of the importance of the 3 B 2 state in the dynamics of sulfur dioxide
journal, March 2014

  • Lévêque, Camille; Taïeb, Richard; Köppel, Horst
  • The Journal of Chemical Physics, Vol. 140, Issue 9
  • DOI: 10.1063/1.4867252

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics
journal, January 2016

  • Neville, Simon P.; Averbukh, Vitali; Patchkovskii, Serguei
  • Faraday Discussions, Vol. 194
  • DOI: 10.1039/c6fd00117c

Model of Ultrafast Intersystem Crossing in Photoexcited Transition-Metal Organic Compounds
journal, February 2010

The multiconfiguration time-dependent Hartree method generalized to the propagation of density operators
journal, November 1999

  • Raab, A.; Burghardt, I.; Meyer, H. ‐D.
  • The Journal of Chemical Physics, Vol. 111, Issue 19
  • DOI: 10.1063/1.480334

Spin-Vibronic Mechanism for Intersystem Crossing
journal, March 2018

Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
journal, July 2017

Structural Determination of a Short-Lived Excited Iron(II) Complex by Picosecond X-Ray Absorption Spectroscopy
journal, February 2007

Time-dependent nonequilibrium soft x-ray response during a spin crossover
journal, March 2018

Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution
journal, April 2015

Ultrafast Excited-State Decays in [Re(CO) 3 (N,N)(L)] n + : Nonadiabatic Quantum Dynamics
journal, February 2017

  • Fumanal, Maria; Gindensperger, Etienne; Daniel, Chantal
  • Journal of Chemical Theory and Computation, Vol. 13, Issue 3
  • DOI: 10.1021/acs.jctc.6b01203

Simulation of femtosecond two-dimensional electronic spectra of conical intersections
journal, August 2015

  • Krčmář, Jindřich; Gelin, Maxim F.; Domcke, Wolfgang
  • The Journal of Chemical Physics, Vol. 143, Issue 7
  • DOI: 10.1063/1.4928685

Probing wavepacket dynamics using ultrafast x-ray spectroscopy
journal, September 2015

  • Capano, G.; Milne, C. J.; Chergui, M.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 21
  • DOI: 10.1088/0953-4075/48/21/214001

Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate
journal, May 2012

Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO 2
journal, July 2013

  • Xie, Changjian; Hu, Xixi; Zhou, Linsen
  • The Journal of Chemical Physics, Vol. 139, Issue 1
  • DOI: 10.1063/1.4811840