Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals

doi:10.1103/PhysRevLett.115.193003

Title: Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals

Article Details
Other Related Research

Authors:: Kowalewski, Markus ; Bennett, Kochise ; Dorfman, Konstantin E. ; Mukamel, Shaul

Publication Date:: 2015-11-05

Grant/Contract Number:: FG02-04ER15571

Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 115; Journal Issue: 19; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Sponsoring Org:: USDOE

Country of Publication:: United States

Language:: English

OSTI Identifier:: 1225244


                    Kowalewski, Markus, Bennett, Kochise, Dorfman, Konstantin E., and Mukamel, Shaul. Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals.  United States: N. p.,  
        Web.  doi:10.1103/PhysRevLett.115.193003.

Copy to clipboard


                    Kowalewski, Markus, Bennett, Kochise, Dorfman, Konstantin E., & Mukamel, Shaul. Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals.  United States.  doi:10.1103/PhysRevLett.115.193003.

Copy to clipboard


                    Kowalewski, Markus, Bennett, Kochise, Dorfman, Konstantin E., and Mukamel, Shaul. 2015.  
        "Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals".  United States.  
        doi:10.1103/PhysRevLett.115.193003.

Copy to clipboard


                    
@article{osti_1225244,

  title        = {Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals},

  author       = {Kowalewski, Markus and Bennett, Kochise and Dorfman, Konstantin E. and Mukamel, Shaul},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.115.193003},

  journal      = {Physical Review Letters},

  number       = 19,

  volume       = 115,

  place        = {United States},

  year         = {2015},

  month        = {11}

}

Copy to clipboard

Free Publicly Accessible Full Text
Accepted Manuscript (Publisher)
Publisher's Version of Record
10.1103/PhysRevLett.115.193003
https://doi.org/10.1103/PhysRevLett.115.193003

Citation Metrics
Cited by: 29works
Citation information provided by
Web of Science

Save / Share this Record
Export Metadata
- Endnote
- RIS
- Excel
- CSV
- XML
Save to My Library
Send to Email

Send to Email

Email address:

Content:

Similar Records

Similar records in DOE PAGES and OSTI.GOV collections:

Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

Journal Article Kowalewski, Markus ; Mukamel, Shaul July 2015 - The Journal of Chemical Physics

Cited by 8Full Text Available
Monitoring long-range electron transfer pathways in proteins by stimulated attosecond broadband X-ray Raman spectroscopy

Journal Article Zhang, Yu ; Biggs, Jason D. ; Govind, Niranjan ; ... October 2014 - Journal of Physical Chemistry Letters

In this study, long-range electron transfer (ET) plays a key role in many biological energy conversion and synthesis processes. We show that nonlinear spectroscopy with attosecond X-ray pulses provides a real time movie of the evolving oxidation states and electron densities around atoms, and can probe these processes with high spatial and temporal resolution. This is demonstrated in a simulation study of the stimulated X-ray Raman (SXRS) signals in Re-modified azurin, which had long served as a benchmark for long-range ET in proteins. Nonlinear SXRS signals are sensitive to the local electronic structure and should offer a novel window formore » long-range ET.« less
Cited by 6Full Text Available
Detecting electronic coherence by multidimensional broadband stimulated x-ray Raman signals

Journal Article Dorfman, Konstantin E. ; Bennett, Kochise ; Mukamel, Shaul August 2015 - Physical Review A

Cited by 8Full Text Available
Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

Journal Article - in OSTI.gov collection Kowalewski, Markus, E-mail: mkowalew@uci.edu ; Mukamel, Shaul, E-mail: smukamel@uci.edu July 2015 - Journal of Chemical Physics

Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.
Full Text Available
Simulation and visualization of attosecond stimulated x-ray Raman spectroscopy signals in trans-N-methylacetamide at the nitrogen and oxygen K-edges

Journal Article - in OSTI.gov collection Healion, Daniel ; Wang Haitao ; Mukamel, Shaul March 2011 - Journal of Chemical Physics

The stimulated Raman component of the pump-probe spectrum of trans-N-methylacetamide obtained in response to two soft x-ray pulses is calculated by treating the core excitations at the Hartree-Fock static-exchange level. The signal reveals the dynamics of valence-electron wave packets prepared and detected in the vicinity of a selected atom (either nitrogen or oxygen). The evolving electronic charge density as well as electronic coherence of the doorway and the window created by the two pulses are visualized using a time-dependent basis set of natural orbitals, which reveals that the wave packets consist of several entangled valence particle-hole pairs.
Full Text Available

Access journal articles and accepted manuscripts resulting from DOE research funding

Title: Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals

Access journal articles and accepted manuscripts
resulting from DOE research funding