The statistics of polarization in electromagnetic waves or target vector has been studied deeply, generally using Stokes parameters. Unfortunately, all the data-processing includes the assumption that the sampling dat...The statistics of polarization in electromagnetic waves or target vector has been studied deeply, generally using Stokes parameters. Unfortunately, all the data-processing includes the assumption that the sampling data are independent of time, without a consideration of the time coherence of the polarization data, such as instantaneous Stokes parameters. In this paper, the definitions of the instantaneous coherent polarization function and polarimetric spectrum are presented for the first time, which shows the coherences of the instantaneous Stokes parameters in both time and frequency domain, even in spatial coherence. The new formula of definition can be extended to spatial propagation coherence, both in free space or any linear medium.展开更多
The infrared （IR） spectra of the N-methylacetamide molecule in water are calculated by using the MD simulation with high-level QM]MM corrections. The B3LYP and MP2 levels with 6-31 I＋＋G＊＊ basis set are used for ...The infrared （IR） spectra of the N-methylacetamide molecule in water are calculated by using the MD simulation with high-level QM]MM corrections. The B3LYP and MP2 levels with 6-31 I＋＋G＊＊ basis set are used for the QM region, respectively, Our results show all IR spectra at the B3LYP level are well consistent with the corresponding MP2 results. A dynamical charge fluctuation is observed for each atom along the simulation trajectories due to the electrostatic polarization （EP） effects from surrounding solvent environment, We find that the QM/MM corrected IR spectra satisfactorily reprodnce the experimental vibrational features of amide 1-11I modes.展开更多
文摘The statistics of polarization in electromagnetic waves or target vector has been studied deeply, generally using Stokes parameters. Unfortunately, all the data-processing includes the assumption that the sampling data are independent of time, without a consideration of the time coherence of the polarization data, such as instantaneous Stokes parameters. In this paper, the definitions of the instantaneous coherent polarization function and polarimetric spectrum are presented for the first time, which shows the coherences of the instantaneous Stokes parameters in both time and frequency domain, even in spatial coherence. The new formula of definition can be extended to spatial propagation coherence, both in free space or any linear medium.
基金supported by the Natural Science Foundation of China(Nos.21306070 and 20966003)the Science&Technology Programs of Education Department of Jiangxi Province(No.GJJ12191)
文摘The infrared （IR） spectra of the N-methylacetamide molecule in water are calculated by using the MD simulation with high-level QM]MM corrections. The B3LYP and MP2 levels with 6-31 I＋＋G＊＊ basis set are used for the QM region, respectively, Our results show all IR spectra at the B3LYP level are well consistent with the corresponding MP2 results. A dynamical charge fluctuation is observed for each atom along the simulation trajectories due to the electrostatic polarization （EP） effects from surrounding solvent environment, We find that the QM/MM corrected IR spectra satisfactorily reprodnce the experimental vibrational features of amide 1-11I modes.
