Methods based on the multireference perturbation theory (MRPT) with the one-electron zeroth-order Hamiltonian are widely used for the description of excited states, for example, due to their relatively low computational cost. However, current methods have a common drawback-use of a model space with low size. In this article, we propose the MRPT method with the model space extended to the complete active space.
View Article and Find Full Text PDFModeling of the excited states of multichromophoric systems is crucial for the understanding of photosynthesis functioning. The excitonic Hamiltonian method is widely used for such calculations. Excited states of the combined system are constructed from the wave functions of individual chromophores while their interactions are described by excitonic couplings.
View Article and Find Full Text PDFCalculation of the excited states properties of pigment complexes is one of the key problems in the photosynthesis research. The excited states of LH1 complex of Thermochromatium tepidum were studied by means of the high-precision quantum chemistry methods. The influence of different parameters of the calculation procedure was examined.
View Article and Find Full Text PDFA correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.
View Article and Find Full Text PDFWe have found that a single sub-microsecond burst of femtosecond laser pulses produces a sub-micrometer cavity possessing the homogeneous birefringence with slow-axis orientation perpendicular to polarization of the laser beam in high-silicate nanoporous glass. Retardance and the root mean square of slow-axis orientation are investigated in dependence on the energy and the number of pulses in the burst. A burst of just three pulses with 98 ns inter-pulse intervals has been shown to induce homogeneous birefringence, and a burst of four pulses has provided birefringence with retardance of 35 nm, which is sufficient for reliable readout of the information recorded with multilevel encoding in slow-axis orientation.
View Article and Find Full Text PDFMultidimensional data recording inside nanoporous high-silica glass by a femtosecond laser beam has been investigated. It is shown that three femtosecond laser pulses at pulse repetition rates up to 1 MHz are sufficient for recording 3 bits of information inside nanoporous glass, which is an order of magnitude lower than the number of pulses required for data writing in silica glass and provides a corresponding gain in the data writing speed. Multilayer data recording and reading were demonstrated providing the storage density corresponding to the capacity of 25 GB in the optical compact disc form factor.
View Article and Find Full Text PDFThis is the first study to perform a comparative genetic analysis of Greenland halibut in the samples from the Atlantic (waters of west and east of Greenland), Arctic (Laptev Sea), and Pacific (the western part of the Bering Sea) ocean basins using seven microsatellite loci. The obtained data clearly demonstrate that the Greenland halibut population in the Laptev Sea belongs to the groups of the Atlantic Ocean basin. Apparently, the Greenland halibut of the Laptev Sea is represented by a dependent population, which is replenished due to the drift of immatures from the spawning grounds in the Barents Sea with the transformed Atlantic water flow along the continental slope.
View Article and Find Full Text PDFA method is proposed for efficient laser modification of fused silica and sapphire by means of a burst of femtosecond pulses having time separation in the range 10-3000 ps. Modification enhancement with the pulse separation increase in the burst was observed on the tens picoseconds scale. It is proposed that accumulated transient tensile strain in the excitation region plays a crucial role in modification by a sub-nanosecond burst.
View Article and Find Full Text PDFPrimary electron transfer (ET) in the chromophore subsystem in a bacterial reaction center (RC) is a unique process, and is coupled with the protein motion, which, like the ET, is caused by photoexcitation of these chromophores. ET is also coupled with dissipative processes, which are caused by interaction between chromophores and vibrations of its surrounding protein. We propose a new dynamics calculation method that accounts for both these effects of protein vibrations.
View Article and Find Full Text PDFA new method of calculating the spectral function of system-bath interaction during elementary biochemical reaction is proposed. This method was applied to the primary electron transfer in the photosynthetic reaction center of purple bacteria Rh. Sphaeroides.
View Article and Find Full Text PDFThe combination of infusion preparations with large doses of hydrocortisone (15--20 mg/kg) is highly recommended for severe mechanical traumas at the prehospital period stage. In so doing, a less amount of infusion preparations is needed to combat a dangerous hypotension and the period of its noxious effect upon the organism shortens, as well. Besides, more favorable conditions for the transportation of the patient to hospital and for his further management are set up.
View Article and Find Full Text PDFVestn Otorinolaringol
January 1977
Ortop Travmatol Protez
December 1966
Ortop Travmatol Protez
November 1965