为解决倾斜分布的数据流聚类这一难题,提出了时态密度概念,给出其度量,揭示了其包括可增量计算在内的一系列数学性质;设计了时态密度树结构,提高了聚类时的存储和检索效率;设计了能够以实时或异步方式捕捉数据倾斜分布的数据流时态特征...为解决倾斜分布的数据流聚类这一难题,提出了时态密度概念,给出其度量,揭示了其包括可增量计算在内的一系列数学性质;设计了时态密度树结构,提高了聚类时的存储和检索效率;设计了能够以实时或异步方式捕捉数据倾斜分布的数据流时态特征的聚类算法TDCA(temporal density based clustering algorithm),其时间复杂度为O(c×m×lgm).实验结果表明,该算法不仅有较强的功能,而且具有较好的规模可伸缩性.展开更多
[ Objective] This study was to understend the optimized combination of planting density, duration of disclosing plastic film and nitrogen fertilization under no-tillage cultivation. [ Method] Quadratic polynomial regr...[ Objective] This study was to understend the optimized combination of planting density, duration of disclosing plastic film and nitrogen fertilization under no-tillage cultivation. [ Method] Quadratic polynomial regression and saturated D-optimal design were employed to investigate the effects of planting density, duration of disclosing plastic film and nitrogen fertilization on the dynamics growth of rapeseed under no-tillage cultivation.[ Result] Within the experimental range, the growth dynamics of no-tillage cultivated rapeseed assumed a rise-fall tend. For the effects to the growth dynamics of no-tillage cultivated rapeseed, nitrogen application amount was higher than planting density and duration of disclosing plastic film. The interaction effect between planting density and duration of disclosing plastic film was higher than that between nitrogen application amount and planting density, and between nitrogen application amount and duration of disclosing plastic film. [ Conclusion] The optimized combination of these factors for dynamic growth of rapeseed under no-tillage cultivation was determined to be: planting density of per hectare 154 925 individuals, duration of disclosing plastic film of 110 d, nitrogen application amount of 315 kg/hm^2.展开更多
The excited state intramolecular proton transfer (ESIPT) coupled charge transfer of baicalein has been investigated using steady-state spectroscopic experiment and quantum chemistry calculations. The absence of the ...The excited state intramolecular proton transfer (ESIPT) coupled charge transfer of baicalein has been investigated using steady-state spectroscopic experiment and quantum chemistry calculations. The absence of the absorption peak from S1 excited state both in the experi-mental and calculated absorption spectra indicates that S1 is a dark state. The dark excited state S1 results in the very weak fluorescence of solid baicalein in the experiment. The fron- tier molecular orbital and the charge difference densities of baicalein show clearly that the S1 state is a charge-transfer state whereas the S2 state is a locally excited state. The only one stationary point on the potential energy profile of excited state suggests that the ESIPT reaction of baicalein is a barrierless process.展开更多
Time-dependent density functional theory (TDDFT) and femtosecond transient absorption spectroscopy were used to investigate the photophysical properties of 2,3-dihydro-3-keto-lH- pyrido[3,2,1-kl]phenothiazine (PTZ4...Time-dependent density functional theory (TDDFT) and femtosecond transient absorption spectroscopy were used to investigate the photophysical properties of 2,3-dihydro-3-keto-lH- pyrido[3,2,1-kl]phenothiazine (PTZ4) and 3-keto-lH-pyrido[3,2,1-kl]phenothiazine (PTZ5). The calculated results obtained from TDDFT suggest that the red-shifts of the absorption spectra of these two fluorophores in methanol are due to the formation of hydrogen-bonded complexes at the ground state. Four conformers of PTZ4 were obtained by TDDFT. The two fluorescence peaks of PTZ4 in tetrahydrofuran (THF) came from the ICT states of the four conformers. The fluorescence of PTZ4 in THF showed a dependence on the excitation wavelength because of butterfly bending. The excited state dynamics of PTZ4 in THF and methanol were obtained by transient absorption spectroscopy. The lifetime of the excited PTZ4 in methanol was 53.8 ps, and its relaxation from the LE state to the ICT state was completed within several picoseconds. The short lifetime of excited PTZ4 in methanol was due to the formation of out-of-plane model hydrogen bonds between PTZ4 and methanol at the excited state.展开更多
Electron relaxation time and density of states near the Fermi level were calculated for "dirty" carbon nanotubes taking into account multiple elastic electrons scattering on impurities and structural inhomogeneities...Electron relaxation time and density of states near the Fermi level were calculated for "dirty" carbon nanotubes taking into account multiple elastic electrons scattering on impurities and structural inhomogeneities of a short-range order type. A possible explanation of low-temperature behavior of density of states and electrical conductivity depending on defect structure, impurities and chirality is presented.展开更多
The excited-state double proton transfer(ESDPT)properties of 1,5-dihydroxyanthraquinone(1,5-DHAQ)in various solvents were investigated using femtosecond transient absorption spectroscopy and the DFT/TDDFT method.The s...The excited-state double proton transfer(ESDPT)properties of 1,5-dihydroxyanthraquinone(1,5-DHAQ)in various solvents were investigated using femtosecond transient absorption spectroscopy and the DFT/TDDFT method.The steady-state fluorescence spectra in toluene,tetrahydrofuran(THF)and acetonitrile(ACN)solvents presented that the solvent polarity has an effect on the position of the ESDPT fluorescence emission peak for the 1,5-DHAQ system.Transient absorption spectra show that the increasing polarity of the solvent accelerates the rate of excited state dynamics.Calculated potential energy curves analysis further verified the experimental results.The ESDPT barrier decreases gradually with the increase of solvent polarity from toluene,THF to ACN solvent.It is convinced that the increase of solvent polarity can promote the occurrence of the ESDPT dynamic processes for the 1,5-DHAQ system.This work clarifies the mechanism of the influence of solvent polarity on the ESDPT process of 1,5-DHAQ,which provides novel ideas for design and synthesis of new hydroxyanthraquinone derivatives.展开更多
The adiabatic theorem describes the time evolution of the pure state and gives an adiabatic approximate solution to the Schrrdinger equation by choosing a single eigenstate of the Hamiltonian as the initial state. In ...The adiabatic theorem describes the time evolution of the pure state and gives an adiabatic approximate solution to the Schrrdinger equation by choosing a single eigenstate of the Hamiltonian as the initial state. In quantum systems, states are divided into pure states (unite vectors) and mixed states (density matrices, i.e., positive operators with trace one). Accordingly, mixed states have their own corresponding time evolution, which is described by the von Neumann equation. In this paper, we discuss the quantitative conditions for the time evolution of mixed states in terms of the von Neumann equation. First, we introduce the definitions for uniformly slowly evolving and δ-uniformly slowly evolving with respect to mixed states, then we present a necessary and sufficient condition for the Hamiltonian of the system to be uniformly slowly evolving and we obtain some upper bounds for the adiabatic approximate error. Lastly, we illustrate our results in an example.展开更多
文摘为解决倾斜分布的数据流聚类这一难题,提出了时态密度概念,给出其度量,揭示了其包括可增量计算在内的一系列数学性质;设计了时态密度树结构,提高了聚类时的存储和检索效率;设计了能够以实时或异步方式捕捉数据倾斜分布的数据流时态特征的聚类算法TDCA(temporal density based clustering algorithm),其时间复杂度为O(c×m×lgm).实验结果表明,该算法不仅有较强的功能,而且具有较好的规模可伸缩性.
基金Supported by Key Agricultural R&D Program in Guizhou Province dur-ing the Eleventh Five-year Plan[NZ(2005)3001]~~
文摘[ Objective] This study was to understend the optimized combination of planting density, duration of disclosing plastic film and nitrogen fertilization under no-tillage cultivation. [ Method] Quadratic polynomial regression and saturated D-optimal design were employed to investigate the effects of planting density, duration of disclosing plastic film and nitrogen fertilization on the dynamics growth of rapeseed under no-tillage cultivation.[ Result] Within the experimental range, the growth dynamics of no-tillage cultivated rapeseed assumed a rise-fall tend. For the effects to the growth dynamics of no-tillage cultivated rapeseed, nitrogen application amount was higher than planting density and duration of disclosing plastic film. The interaction effect between planting density and duration of disclosing plastic film was higher than that between nitrogen application amount and planting density, and between nitrogen application amount and duration of disclosing plastic film. [ Conclusion] The optimized combination of these factors for dynamic growth of rapeseed under no-tillage cultivation was determined to be: planting density of per hectare 154 925 individuals, duration of disclosing plastic film of 110 d, nitrogen application amount of 315 kg/hm^2.
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (No.61137005 and No.10974023), the Program for Liaoning Excellent Talents in University (No.LJQ2012002), and the Program for New Century Excellent Talents in University (No.NCET-12-0077).
文摘The excited state intramolecular proton transfer (ESIPT) coupled charge transfer of baicalein has been investigated using steady-state spectroscopic experiment and quantum chemistry calculations. The absence of the absorption peak from S1 excited state both in the experi-mental and calculated absorption spectra indicates that S1 is a dark state. The dark excited state S1 results in the very weak fluorescence of solid baicalein in the experiment. The fron- tier molecular orbital and the charge difference densities of baicalein show clearly that the S1 state is a charge-transfer state whereas the S2 state is a locally excited state. The only one stationary point on the potential energy profile of excited state suggests that the ESIPT reaction of baicalein is a barrierless process.
文摘Time-dependent density functional theory (TDDFT) and femtosecond transient absorption spectroscopy were used to investigate the photophysical properties of 2,3-dihydro-3-keto-lH- pyrido[3,2,1-kl]phenothiazine (PTZ4) and 3-keto-lH-pyrido[3,2,1-kl]phenothiazine (PTZ5). The calculated results obtained from TDDFT suggest that the red-shifts of the absorption spectra of these two fluorophores in methanol are due to the formation of hydrogen-bonded complexes at the ground state. Four conformers of PTZ4 were obtained by TDDFT. The two fluorescence peaks of PTZ4 in tetrahydrofuran (THF) came from the ICT states of the four conformers. The fluorescence of PTZ4 in THF showed a dependence on the excitation wavelength because of butterfly bending. The excited state dynamics of PTZ4 in THF and methanol were obtained by transient absorption spectroscopy. The lifetime of the excited PTZ4 in methanol was 53.8 ps, and its relaxation from the LE state to the ICT state was completed within several picoseconds. The short lifetime of excited PTZ4 in methanol was due to the formation of out-of-plane model hydrogen bonds between PTZ4 and methanol at the excited state.
文摘Electron relaxation time and density of states near the Fermi level were calculated for "dirty" carbon nanotubes taking into account multiple elastic electrons scattering on impurities and structural inhomogeneities of a short-range order type. A possible explanation of low-temperature behavior of density of states and electrical conductivity depending on defect structure, impurities and chirality is presented.
基金supported by the National Basic Research Program of China(No.2019YFA0307701)the National Natural Science Foundation of China(No.11874180)the Young and Middle-aged Scientific and Technological Innovation leaders and Team Projects in Jilin Province(No.20200301020RQ)。
文摘The excited-state double proton transfer(ESDPT)properties of 1,5-dihydroxyanthraquinone(1,5-DHAQ)in various solvents were investigated using femtosecond transient absorption spectroscopy and the DFT/TDDFT method.The steady-state fluorescence spectra in toluene,tetrahydrofuran(THF)and acetonitrile(ACN)solvents presented that the solvent polarity has an effect on the position of the ESDPT fluorescence emission peak for the 1,5-DHAQ system.Transient absorption spectra show that the increasing polarity of the solvent accelerates the rate of excited state dynamics.Calculated potential energy curves analysis further verified the experimental results.The ESDPT barrier decreases gradually with the increase of solvent polarity from toluene,THF to ACN solvent.It is convinced that the increase of solvent polarity can promote the occurrence of the ESDPT dynamic processes for the 1,5-DHAQ system.This work clarifies the mechanism of the influence of solvent polarity on the ESDPT process of 1,5-DHAQ,which provides novel ideas for design and synthesis of new hydroxyanthraquinone derivatives.
基金supported by the National Natural Science Foundation of China(Grant Nos.11601300,and 11571213)the Fundamental Research Funds for the Central Universities(Grant No.GK201703093)
文摘The adiabatic theorem describes the time evolution of the pure state and gives an adiabatic approximate solution to the Schrrdinger equation by choosing a single eigenstate of the Hamiltonian as the initial state. In quantum systems, states are divided into pure states (unite vectors) and mixed states (density matrices, i.e., positive operators with trace one). Accordingly, mixed states have their own corresponding time evolution, which is described by the von Neumann equation. In this paper, we discuss the quantitative conditions for the time evolution of mixed states in terms of the von Neumann equation. First, we introduce the definitions for uniformly slowly evolving and δ-uniformly slowly evolving with respect to mixed states, then we present a necessary and sufficient condition for the Hamiltonian of the system to be uniformly slowly evolving and we obtain some upper bounds for the adiabatic approximate error. Lastly, we illustrate our results in an example.