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decay dynamics of N, N-Dimethylthioacetamide in S3（ππ＊） State

Chinese Journal of Chemical Physics 2015年第1期28卷 27-34,I0001页

作者：陈笑薛佳丹郑旭明浙江理工大学化学系杭州310018 浙江理工大学先进纺织材料与制备技术教育部重点实验室杭州310018 浙江理工大学生态染整及纺织品加工教育部工程研究中心杭州310018

The decay dynamics of N, N-dimethylthioacetamide after excitation to the S3（ππ＊） state was studied by using the resonance Raman spectroscopy and complete active space self- consistent field method calculations. The UV-absorption and vibrational spectra were as- signed. The A-band resonance Raman spectra were obtained in acetonitrile, methanol and water with the laser excitation wavelengths in resonance with the first intense absorption band to probe the Franck-Condon region structural dynamics. The CASSCF calculations were carried out to determine the excitation energies and optimized structures of the lower- lying singlet states and conical intersection point. The A-band structural dynamics and the corresponding decay mechanism were obtained by the analysis of the resonance Raman in- tensity pattern and the CASSCF calculated structural parameters. The major decay channel of S3,FC （ππ＊）→S3（ππ＊）/S1 （nπ＊）→S1（nπ＊） is proposed.

关键词： N N-Dimethylthioacetamide Structural dynamics decay dynamics Reso-nance Raman spectrum CASSCF calculation Conical intersection

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A study of the effective Hamiltonian method for decay dynamics

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Communications in Theoretical Physics 2023年第3期75卷 29-37页

作者：陈静单馨雨王小云黄勇刚 College of Physics and Electromechanical Engineering Jishou UniversityJishou 416000China

The decay dynamic of an excited quantum emitter(QE)is one of the most important contents in quantum *** has been widely applied in the field of quantum computing and quantum state *** the electromagnetic environment is described by several pseudomodes,the effective Hamiltonian method based on the multi-mode Jaynes-Cummings model provides a clear physical picture and a simple and convenient way to solve the decay ***,in previous studies,only the resonant modes are taken into account,while the non-resonant contributions are *** this work,we study the applicability and accuracy of the effective Hamiltonian method for the decay *** consider different coupling strengths between a two-level QE and a gold *** results for dynamics by the resolvent operator technique are used as a *** results show that the effective Hamiltonian method provides accurate results when the two-level QE is resonant with the ***,when the detuning is large,the effective Hamiltonian method is not *** addition,the effective Hamiltonian method cannot be applied when there is a bound state between the QE and the *** results are of great significance to the study of the decay dynamics in micro-nano structures described by quasi-normal modes.

关键词： decay dynamics resolvent operator technique effective Hamiltonian method pseudomode

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Short-Term Response of Soil Respiration to Addition of Chars:Impact of Fermentation Post-Processing and Mineral Nitrogen

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Pedosphere 2015年第5期25卷 761-769页

作者： Giacomo LANZA Stephan WIRTH Arthur GESSLER Jrgen KERN Leibniz Institute for Agricultural Engineering Leibniz Centre for Agricultural Landscape Research (ZALF) Swiss Federal Institute for Forest Snow and Landscape Research WSL

The biodegradability of chars derived from pyrolysis and hydrothermal carbonisation(HTC) was studied in short-term dynamic incubation experiments under controlled conditions. Carbon dioxide C(CO2) emissions from soil-char mixtures in combination with solid digestate or mineral nitrogen(N) fertiliser were measured in dynamic chambers for 10 d. Compared to the original material(maize straw), pyrolysis and HTC chars showed significantly lower CO2 emissions and slower decay dynamics; and compared to the soil control, HTC char increased soil respiration to a significant extent, while pyrolysis char did not. The addition of mineral N resulted in a delayed respiration dynamics for HTC char, while the addition of digestate resulted in an increase in the respired CO2 for pyrolysis char and a decrease for HTC char. For the first time, a peculiar two-stage decay kinetics was observed for HTC char,indicating a highly inhomogeneous substrate consisting at least of two C pools.

关键词： biodegradability CO2 emission decay dynamics hydrothermal carbonisation char pyrolysis char

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Structural dynamics of Phenyl Azide in Light-Absorbing Excited States： Resonance Raman and Quantum Mechanical Calculation Study

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Chinese Journal of Chemical Physics 2016年第1期29卷 21-30,I0001页

作者：袁荣单薛佳丹郑旭明浙江理工大学化学系杭州310018

The excited state structural dynamics of phenyl absorbing S2（A＇）, S3（A＇）, and S6（A＇） states were troseopy and complete active space self-consistent and the UV absorption bands were assigned on azide （PhN3） after excitation to the light studied using the resonance Raman specfield calculations. The vibrational spectra the basis of the Fourier transform （FT）- Raman, FT-infrared measurements, the density-functional theory computations and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohex- ane, acetonitrile, and methanol solvents were, respectively, obtained at 273.9, 252.7, 245.9, 228.7, 223.1, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PhN3. The results indicated that the structural dynamics in the S2 （A＇）, S3（A＇）, and S6（A＇） states were significantly different. The crossing points of the potential energy surfaces, S2S1（1） and S2S1（2）, were predicted to play a key role in the low-lying excited state decay dynamics, in accordance with Kasha＇s rule, and NT=N8 dissociation. Two decay channels initiated from the Franck-Condon region of the S2（A＇） state were predicted： the radiative S2,min→S0 radiative decay and the S2→S1 internal conversion through the crossing points S2S1 （1）/S2S1（2）.

关键词： Phenyl azide Structural dynamics decay dynamics Resonance Raman spec- troscopy CASSCF calculation Curve-crossing

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