| Literature DB >> 24019462 |
Jason D Biggs1, Yu Zhang, Daniel Healion, Shaul Mukamel.
Abstract
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.Entities:
Keywords: REW-TDDFT; chromophore aggregates; core transitions; nonlinear
Year: 2013 PMID: 24019462 PMCID: PMC3785725 DOI: 10.1073/pnas.1308604110
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN: 0027-8424 Impact factor: 11.205