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Search results for: EXEITED STATE GRADIENTS
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Solid State Phenomena
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SOLID STATE IONICS
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Histogram of Gradients with Cell Average Intensity for Human Detection
PublicationThe modification of the descriptor in human detector using Histogram of Oriented Gradients and support vector machine is presented. The proposed modification requires inserting the average cell intensitiesresulting with the increase of the length of the descriptor from 3780 to 4200 values, but it is easy to compute and instantly gives 14-26% of miss rate improvement at 10^-4 False Positives Per Window (FPPW). The modification...
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Histogram of Oriented Gradients with Cell Average Brightness for Human Detection
PublicationA modification of the descriptor in a human detector using Histogram of Oriented Gradients (HOG) and Support Vector Machine (SVM) is presented. The proposed modification requires inserting the values of average cell brightness resulting in the increase of the descriptor length from 3780 to 3908 values, but it is easy to compute and instantly gives ≈ 25% improvement of the miss rate at 10‒4 False Positives Per Window (FPPW). The...
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JOURNAL OF SOLID STATE ELECTROCHEMISTRY
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Modelling of wastewater treatment plant for monitoring and control purposes by state - space wavelet networks
PublicationMost of industrial processes are nonlinear, not stationary, and dynamical with at least few different time scales in their internal dynamics and hardly measured states. A biological wastewater treatment plant falls into this category. The paper considers modelling such processes for monitorning and control purposes by using State - Space Wavelet Neural Networks (SSWN). The modelling method is illustrated based on bioreactors of...
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Analysis of GNSS sensed precipitable water vapour and tropospheric gradients during the derecho event in Poland of 11th August 2017
PublicationNowadays, one of the techniques that meets the increasing requirements of meteorologist in terms of monitoring of severe weather events is global navigation satellite systems (GNSS), which can provide information about the tropospheric state independently of the weather conditions and even in real time. In this paper we present the usage of GNSS sensed tropospheric data to monitor sudden and intense weather events. Our analyses...
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Solid state electronics and nanoelectronics
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