Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 110, Issue 39, Pages 15597-15601Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1308604110
Keywords
chromophore aggregates; core transitions; REW-TDDFT; nonlinear
Categories
Funding
- Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy
- National Science Foundation [CHE-1058791]
- National Institutes of Health [GM-59230]
- Direct For Mathematical & Physical Scien [1361516] Funding Source: National Science Foundation
- Division Of Chemistry [1361516] Funding Source: National Science Foundation
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Understanding the excitation energy transfer mechanism in multiporphyrin arrays is key for designing artificial light-harvesting devices and other molecular electronics applications. Simulations of the stimulated X-ray Raman spectroscopy signals of a Zn/Ni porphyrin heterodimer induced by attosecond X-ray pulses show that these signals can directly reveal electron-hole pair motions. These dynamics are visualized by a natural orbital decomposition of the valence electron wavepackets.
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