icMRCI+Q理论研究CF离子12个-S态和23个?态的光谱性质

采用考虑Davidson修正的内收缩多参考组态相互作用(icMRCI+Q)方法结合相关一致基组aug-ccpV5Z和aug-cc-pV6Z计算了CF~+离子第一离解极限C~+(~2p_u)+F(~2P_u)对应的12个∧-S态(X~l∑~+,a~3∏,1~3∑~+,1~3Δ,1~1∑~-,1~1∑~-,1~3∑~-,2~1∑~+,1~1∏,2~3∏,2~1∏和2~3∑~+)所产生的23个Ω态的势能曲线.计算中考虑了旋轨耦合效应、核价相关和标量相对论修正以及将参考能和相关能分别外推至完全基组极限.基于得到的势能曲线,获得了束缚和准束缚的9个∧-S态和16个Ω态的光谱常数,并且X~1∑~+,a~3∏~(势阱一)∧-S态的光谱常数与已有的实验结果非常符合.此外,计算了CF自由基X~2∏态到CF~+离子束缚和准束缚的9个∧-S态的垂直电离势和绝热电离势,并且CF~+(X~1∑~+)←CF(X~2∏)和CF~+(a~3∏(势阱一))←CF(X~2∏)的垂直电离势和绝热电离势与相应的实验结果也非常符合.由a~3∏,1~1∏态和其他激发∧-S态势能曲线的交叉现象,借助于计算的旋轨耦合矩阵元,分析了a~3∏~(势阱一),1~1∏~(势阱一)和2~1∑~+态的预解离机理.计算的23个Ω态离解极限处的相对能量与实验结果十分吻合.最后计算了(2)0+~(势阱一)(v'=0-5),(1)1~(势阱一)(v'=0-5)和(2)1~(势阱一)(v'=0)到X0~+态跃迁的Franck-Condon因子和辐射寿命.     

Experimental review of the ϒ(1S, 2S, 3S) physics at e+e− colliders and the LHC

The three lowest-lying \mathrm{\Upsilon } states, i.e., \mathrm{\Upsilon }(1S), \mathrm{\Upsilon }(2S), and \mathrm{\Upsilon }(3S), composed of bb¯ pairs and below the BB ¯ threshold, provide a good platform for the researches of hadronic physics and physics beyond the Standard Model. They can be produced directly in e⁺e⁻ colliding experiments, such as CLEO, Babar, and Belle, with low continuum backgrounds. In these experiments, many measurements of the exclusive \mathrm{\Upsilon }(1S) and \mathrm{\Upsilon }(2S) decays into light hadrons, which shed light on the “80% rule” for the Okubo–Zweig–Iizuka suppressed decays in the bottomonium sector, were carried out. Meanwhile, many studies of the charmonium and bottomonium productions in \mathrm{\Upsilon }(1S, 2S, 3S) decays were performed, to distinguish different Quantum Chromodynamics (QCD) models. Besides, exotic states and new physics were also extensively explored in \mathrm{\Upsilon }(1S, 2S, 3S) decays at CLEO, BaBar, and Belle. The \mathrm{\Upsilon }(1S, 2S, 3S) states can also be produced in pp collisions and in collisions involving heavy ions. The precision measurements of their cross sections and polarizations at the large hadron collider (LHC), especially in the CMS, ATLAS, and LHCb experiments, help to understandΥproduction mechanisms in pp collisions. The observation of the sequentialΥsuppression in heavy ion collisions at CMS, LHCb, and ALICE is of great importance for verifying the quark–gluon plasma predicted by QCD. In this article, we review the experimental results on \mathrm{\Upsilon }(1S, 2S, 3S) at e⁺e⁻ colliders and the LHC, and summarize their prospects at Belle II and the LHC.     

热激活延迟荧光材料的光物理行为及性能预测

热激活延迟荧光(Thermally activated delayed fluorescence, TADF)材料由于三线态激子可通过反系间窜越(Reverse intersystem crossing, RISC)转换为单线态激子,在有机发光二极管(Organic light-emitting diodes, OLEDs)中理论上可达到100%的激子利用率而被广泛关注。但实验上开发设计高性能TADF材料较为复杂且研究周期较长,理论研究可以从本质上建立材料结构-性能的关系,预测材料的性质并提供一定的分子设计策略。本文围绕高性能TADF材料的开发,从发光原理出发,系统阐述了分子的设计策略及光物理参数如材料单-三线态能级差(Single-triplet energy gap,ΔE_ST)、系间/反系间窜越速率、吸收/发射光谱、辐射/非辐射速率等的计算原理、计算方法和研究进展。最后我们探讨了TADF材料理论研究面临的机遇和挑战,通过对TADF材料的理论研究综述和研究前景的展望,期待吸引更多的研究工作者,推动该领域的发展和突破。     

RADIATIVE FORCING AND GREENHOUSE EFFECT DUE TO THE ATMOSPHERIC TRACE GASES

The radiative forcing and greenhouse effect due to the atmospheric trace gases have been calculated by using an advanced radiative-convective model developed in this paper. The relationship between radiative forcing and concentration is given for each trace gas. The resuhs show that (ⅰ) the radiative forcing and then the greenhouse effect are significantly affected by the overlapping of atmospheric absorption bands; (ⅱ) the increasing concentration of trace gases other than CO_2, such as CH_4, N_2O, CFCs, etc., may potentially play an important role in the future global warming;(ⅲ) the proposed substitutes, such as HCFC124 and HFC125, for the chlorofluorocarbons which are considered to destroy the ozone layer have still considerable greenhouse effect even though their ozone depletion potentials are much smaller than CFCs; and (ⅳ) the feedback processes within the earth-atmosphere system have important effect on the surface temperature change due to the radiative forcing to the system.     

一维瞬态辐射传输的有限元法模拟

随着超短脉冲激光的快速发展,吸收散射性介质内的瞬态辐射传输引起了人们的广泛关注.本文基于离散坐标法和最小二乘有限元法(LSFEM),提出了模拟多维吸收散射性介质内瞬态辐射传输的数值模型.该模型有效地克服了在标准Galerkin有限元法(GFEM)中发生的伪振荡现象,在时间步长较大的情况下仍然可以得到光滑无振荡的解.而且,最小二乘法产生的求解系数矩阵是对称正定的,与GFEM中的系数矩阵相比,仅需要存储一半的非零系数,可以应用许多高效的迭代求解方法进行求解.为了检验模型,本文研究了一维吸收散射性介质内瞬态辐射传输问题,其结果与蒙特卡洛法(MCM)和积分模型法(IE)的结果进行了比较,结果证实:本文的方法可以精确、高效地模拟参与性介质内的瞬态辐射传输.     

Radiative leptonic decay B-c→τ-(v)τγ in the standard model and the two-Higgs-doublet model

We analyze the radiative leptonic Be decay B-→τ-(v)τγ in the Standard Model and the twoHiggs-doublet model using the non-relativistic constituent quark model.The results confirm that this channel is experimentally promising in view of the large number of Bc mesons which are expected to be produced at future hadron facilities.We also find that this decay is sensitive to the parameters of the two-Higgs-doublet model,and it can be tested in future experiments.     

Wavelength selection of bidirectional laser transmission based on Monte Carlo method

The laser detection technology in uncertain and dynamic environments is of utmost importance in many fields. A model of transient radiative transfer of bidirectional path laser based on Monte Carlo method is developed to investigate the optimum wavelength of active detector at complex atmospheric conditions. The radiative parameters of atmosphere are calculated by HITRAN database and Mie theory at several typical atmospheric conditions including the standard atmosphere, urban aerosol, and radiation fog. Transmission characteristics for five spectral bands at the above atmospheric conditions are calculated by this model. The optimal transmission ability occurred in bands 0.2–0.5, 1.4–1.6, and 0.75–1.25 μm on the condition of standard atmosphere, urban aerosol, and radiation fog, respectively. All results provide effective reference and basic support for choosing the optimal spectral band for active detection.     

Energy Levels and Band Intensities of Neodymium Organic Acid Complexes

Abstract

The optical absorption spectra of Nd³⁺ ion in glutamic, L-aspartic and maleic acids in UV-VIS and NIR regions have been recorded. From the spectral data thus obtained, various spectroscopic parameters are evaluated. The radiative lifetimes (γ_R) and branching ratios (β) for the excited states of Nd³⁺ ion in three acids have been computed. The relationship between the environment sensitive Judd-Ofelt parameter (ω₂) and the intensities of hypersensitive level (⁴G_5/2) is in good coincidence following the Judd-Ofelt theory.