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  • 2000-2004  (3)
  • chlorophyll  (2)
  • Band structure  (1)
  • 1
    ISSN: 1432-2234
    Keywords: Key words: Restricted Hartree ; Fock ; Fourier space ; Gaussian-type functions ; Polymers ; Band structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract.  Formulas are presented for restricted Hartree–Fock (RHF) calculations on systems with periodicity in one dimension using a basis set of contracted spherical Gaussians. Applying Fourier-space and Ewald-type methods, all lattice sums appearing in the formulation have been brought to forms exhibiting accelerated convergence. Calculations have been carried out for infinite chains of Li2 molecules and a poly(oxymethylene) chain. The methods used here yield results that are far more precise than corresponding direct-space calculations and for the first time show the vanishing of the RHF density of states at the Fermi level for situations of partial band occupancy. Our initial computational implementation was about 5 times slower than the fastest direct-space RHF code, but improvements in special-function evaluations and numerical integrations over the Brillouin zone are shown to remove this disparity in computing speed.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1573-5079
    Keywords: chlorophyll ; energy quenching ; fluorescence ; LIDAR ; photochemistry ; photosynthesis ; Photosystem II ; phytoplankton ; pump and probe ; remote sensing
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Initial results of the airborne LIDAR measurement of photochemical quantum yield, ΦPo, and functional absorption cross-section, σPS II, of Photosystem II (PS II) are reported. NASA's AOL3 LIDAR was modified to implement short-pulse pump-and-probe (SP-P&P) LIDAR measurement protocol. The prototype system is capable of measuring a pump-induced increase in probe-stimulated chlorophyll fluorescence, ΔF/Fsat, along with the acquisition of `conventional' LIDAR-fluorosensor products from an operational altitude of 150 m. The use of a PS II sub-saturating probe pulse increases the response signal but also results in excessive energy quenching (EEQ) affecting the ΔF/Fsat magnitude. The airborne data indicated up to a 3-fold EEQ-caused decline in ΔF/Fsat, and 2-fold variability in the EEQ rate constant over a spatial scale a few hundred kilometers. Therefore, continuous monitoring of EEQ parameters must be incorporated in the operational SP-P&P protocol to provide data correction for the EEQ effect. Simultaneous airborne LIDAR measurements of ΦPo and σPS II with EEQ correction were shown to be feasible and optimal laser excitation parameters were determined. Strong daytime ΔF/Fsat decline under ambient light was found in the near-surface water layer over large aquatic areas. An example of SP-P&P LIDAR measurement of phytoplankton photochemical and fluorescent characteristics in the Chesapeake Bay mouth is presented. Prospects for future SP-P&P development and related problems are discussed.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1573-5079
    Keywords: chlorophyll ; fluorescence ; LIDAR ; photosynthesis ; Photosystem II ; pump and probe ; remote sensing ; singlet-singlet quenching ; singlet-triplet quenching
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The development of a technique for laser measurement of fPhotosystem II (PS II) photochemical characteristics of phytoplankton and terrestrial vegetation from an airborne platform is described. Results of theoretical analysis and experimental study of pump-and-probe measurement of the PS II functional absorption cross-section and photochemical quantum yield are presented. The use of 10 ns probe pulses of PS II sub-saturating intensity provides a significant, up to 150-fold, increase in the fluorescence signal compared to conventional `weak-probe' protocol. Little effect on the fluorescence yield from the probe-induced closure of PS II reaction centers is expected over the short pulse duration, and thus a relatively intense probe pulse can be used. On the other hand, a correction must be made for the probe-induced carotenoid triplet quenching and singlet-singlet annihilation. A Stern-Volmer model developed for this correction assumes a linear dependence of the quenching rate on the laser pulse fluence, which was experimentally validated. The PS II saturating pump pulse fluence (532 nm excitation) was found to be 10 and 40 μmol quanta m−2 for phytoplankton samples and leaves of higher plants, respectively. Thirty μs was determined as the optimal delay in the pump-probe pair. Our results indicate that the short-pulse pump-and-probe measurement of PS II photochemical characteristics can be implemented from an airborne platform using existing laser and LIDAR technologies.
    Type of Medium: Electronic Resource
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