Journal of Quantitative Spectroscopy & Radiative Transfer最新文献_第8页

Transmission characteristics of vortex light superposition in atmospheric turbulence disturbed by plane acoustic waves 受平面声波干扰的大气湍流中涡旋光叠加的传输特性

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-08 DOI: 10.1016/j.jqsrt.2024.109266

Jialin Zhang , Mingjun Wang , Xiaohu Wu , Min Liu

Herein, we derive the expression for the atmospheric refractive index structure constant under the influence of planar acoustic wave perturbations under the influence of the acoustic field on the refractive index and energy of the atmosphere. Utilizing the low-frequency compensated power spectrum inversion technique, we simulate the refractive index power spectrum of atmospheric turbulence perturbed by a planar acoustic wave. Numerical analysis is conducted on the transmission characteristics of the vortex light superposition states in atmospheric turbulence perturbed by a plane acoustic wave under different acoustic wave transmission heights, acoustic pressure amplitudes, and frequencies. Results indicate that introducing an acoustic field induces fluctuations in the atmospheric refractive index structure constant, with a more pronounced impact on the refractive index than on energy. Compared with the sole consideration of the impact of the acoustic field on the atmospheric refractive index, incorporating its effect on atmospheric energy results in a decrease in the atmospheric refractive index structure constant. The impact of the acoustic field on atmospheric turbulence is directly proportional to both acoustic pressure amplitude and frequency. The influence of the acoustic field on the transmission properties of the vortex optical superposition state varies with different acoustic transmission distances. Consequently, the transmission characteristics of the vortex light superposition state can be actively modulated according to varying acoustic wave transmission distances. This study offers a theoretical basis for modulating the optical field transmission characteristics via acoustic fields.

在此，我们根据声场对大气折射率和能量的影响，推导出了平面声波扰动影响下的大气折射率结构常数表达式。利用低频补偿功率谱反演技术，我们模拟了受到平面声波扰动的大气湍流的折射率功率谱。对平面声波扰动大气湍流中涡旋光叠加态在不同声波传输高度、声压幅值和频率下的传输特性进行了数值分析。结果表明，引入声场会引起大气折射率结构常数的波动，对折射率的影响比对能量的影响更明显。与只考虑声场对大气折射率的影响相比，考虑声场对大气能量的影响会导致大气折射率结构常数下降。声场对大气湍流的影响与声压振幅和频率成正比。声场对涡旋光学叠加态传输特性的影响随声波传输距离的不同而变化。因此，涡旋光叠加态的传输特性可以根据不同的声波传输距离进行主动调制。这项研究为通过声场调制光场传输特性提供了理论依据。

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引用次数: 0

Analysis of the radiative corrections and dynamic extensions to the local field in the effective refractive index of particle suspensions 颗粒悬浮物有效折射率的辐射修正和局部场动态扩展分析

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109262

Omar Vázquez-Estrada , Augusto García-Valenzuela , Anays Acevedo-Barrera , Rubén G. Barrera

We analyze the predictions of two recently developed effective-medium approximations for the effective refractive index of a system of either transparent or plasmonic spherical particles, dispersed randomly in a transparent liquid matrix, as a function of their geometrical and physical parameters. The importance and significance of these approximations is that besides the radiative corrections to the optical response of the particles, they include full dynamic corrections to the field exciting any given particle. We perform this analysis by comparing the values obtained using them with the ones obtained from three well-known and widely used effective-medium approximations: Maxwell Garnett, Maxwell Garnett-Mie and van de Hulst. We provide plots of the real and imaginary parts of the effective index of refraction, for the five approximations considered, for polystyrene and gold nanoparticles of different sizes, as a function of the filling fraction and wavelength, pointing out the relevance of the new predictions, as well as the actual physical processes behind the so-called dependent scattering and what we now call dependent absorption.

我们分析了最近开发的两种有效介质近似方法对随机分散在透明液体基质中的透明或等离子球形粒子系统的有效折射率的预测，它们是粒子的几何和物理参数的函数。这些近似值的重要性和意义在于，除了对粒子光学响应的辐射修正外，它们还包括对激发任何给定粒子的场的全动态修正。我们在进行分析时，将使用这些近似值获得的数值与使用三种著名且广泛使用的有效介质近似值获得的数值进行了比较：Maxwell Garnett、Maxwell Garnett-Mie 和 van de Hulst。我们提供了针对不同尺寸的聚苯乙烯和金纳米粒子，所考虑的五种近似值的有效折射率的实部和虚部与填充分数和波长的函数关系图，指出了新预测的相关性，以及所谓的依附散射和我们现在所说的依附吸收背后的实际物理过程。

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引用次数: 0

A mixing rule for imaginary parts of refractive indices of aerosols or colloids in the Rayleigh regime 瑞利模式下气溶胶或胶体折射率虚部的混合规则

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109254

Hans Moosmüller , Justin B. Maughan , Prakash Gautam , Christopher M. Sorensen

A Rayleigh mixing rule that relates the effective imaginary part of the refractive index of a composite medium, such as an aerosol or colloid, to the complex refractive index of the Rayleigh particles is derived using Rayleigh scattering theory. The derivation is simple, straightforward, and only weakly dependent on particle morphology. The Rayleigh mixing rule offers an opportunity to derive the imaginary part of refractive index spectra of Rayleigh particles, suspended in a non-absorbing medium with known refractive index spectrum, from an extinction spectrum of the composite medium. However, for this application, the real refractive index spectrum of the particle must be known reasonably well and the imaginary part must be known well enough to decide between two mathematical solutions for it. The Rayleigh mixing rule is compared with widely used mixing rules (i.e., volume, Maxwell Garnett, and Bruggeman mixing rules) and we show that in the small volume fraction regime both the Maxwell Garnet and Bruggeman mixing rules agree with the Rayleigh mixing rule.

利用瑞利散射理论推导出一种瑞利混合规则，它将气溶胶或胶体等复合介质折射率的有效虚部与瑞利粒子的复折射率联系起来。推导过程简单明了，对颗粒形态的依赖性很弱。利用瑞利混合规则，可以从复合介质的消光光谱推导出悬浮在具有已知折射率光谱的非吸收介质中的瑞利粒子折射率光谱的虚部。不过，在这种应用中，粒子的实折射率光谱必须相当清楚，而虚部折射率光谱也必须足够清楚，以便在两种数学解法之间做出选择。我们将瑞利混合规则与广泛使用的混合规则（即体积、麦克斯韦-加内特和布鲁格曼混合规则）进行了比较，结果表明，在小体积分数条件下，麦克斯韦-加内特和布鲁格曼混合规则都与瑞利混合规则一致。

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引用次数: 0

Impacts of scattering plane randomization on lidar multiple scattering polarization signals from water clouds 散射面随机化对来自水云的激光雷达多重散射偏振信号的影响

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109256

Zhen Wang

Under a general approximation of multiple scattering paths involving small-angle scatterings interspersed with occasional large-angle scatterings, we performed Monte Carlo vector radiative transfer simulations to investigate the spatial and temporal distribution of the reduced Mueller matrix (RMM) of lidar returns from water clouds. Our findings indicate that the normalized RMM elements

{\tilde{M}}_{22}^{'}

and

{\tilde{M}}_{33}^{'}

are highly affected by two types of scattering plane randomizations: the overall rotation of scattering planes along multiple scattering paths, and the correlation of the rotation of scattering planes along sub-paths separated by large-angle scatterings. The simulation results reveal that the specific geometries of lidar multiple scattering paths, driven by strong forward-scattering in water clouds, result in the two scattering plane randomizations producing markedly different effects on the linear polarization. This insight not only elucidates the varying decline rates in linearly cross-polarized pattern contrast and linear polarization degree observed in current on-beam lidars but also establishes a basis for analyzing polarized signals in potential future off-beam lidar systems.

在涉及小角散射和偶尔大角散射的多散射路径的一般近似下，我们进行了蒙特卡洛矢量辐射传递模拟，以研究水云激光雷达回波的还原穆勒矩阵（RMM）的空间和时间分布。我们的研究结果表明，归一化的 RMM 元素 M̃22′ 和 M̃33′ 受两类散射平面随机化的影响很大：散射平面沿多条散射路径的整体旋转，以及散射平面沿被大角度散射分隔的子路径旋转的相关性。模拟结果表明，在水云强前向散射的驱动下，激光雷达多重散射路径的特定几何形状导致两种散射平面随机化对线性极化产生明显不同的影响。这一见解不仅阐明了在目前的波束激光雷达中观察到的线性交叉偏振图案对比度和线性偏振程度的不同下降率，而且为分析未来潜在的波束外激光雷达系统中的偏振信号奠定了基础。

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引用次数: 0

LiDB: Database of atomic radiative lifetimes for plasma processes LiDB：等离子体过程原子辐射寿命数据库

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-06 DOI: 10.1016/j.jqsrt.2024.109242

Alec Owens , Tingting Chen , Christian Hill , Sebastian Mohr , Jonathan Tennyson

LiDB is a database of molecular radiative lifetimes (Owens et al., 2023), created to aid in the modelling of radiative effects in low-temperature plasmas. Here, we report the addition of atomic radiative lifetimes to LiDB. Datasets are generated for neutral and singly-charged atomic species based on energy levels, transitions, and transition probabilities extracted from the National Institute of Standards and Technology (NIST) Atomic Spectra Database (ASD). The main data output of LiDB is radiative lifetimes of atomic states defined uniquely by atomic term symbols and electronic configurations. The effects of the total angular momentum quantum number

J

on the lifetimes are averaged over using an atomic state lumping procedure. LiDB also provides partial lifetimes which yield information on the dominant radiative decay channels from each state. Datasets are available for 35 neutral and 19 singly-charged atoms with new species to be added in the future. LiDB is freely available at www.exomol.com/lidb where users can dynamically view atomic and molecular datasets or use an application programming interface (API) to request data.

LiDB 是一个分子辐射寿命数据库（Owens 等人，2023 年），其建立是为了帮助模拟低温等离子体中的辐射效应。在此，我们报告了在 LiDB 中添加原子辐射寿命的情况。根据从美国国家标准与技术研究院（NIST）原子光谱数据库（ASD）中提取的能级、跃迁和跃迁概率，为中性和单电荷原子物种生成数据集。LiDB 的主要数据输出是由原子项符号和电子构型唯一定义的原子态辐射寿命。总角动量量子数 J 对寿命的影响通过原子态叠加程序进行平均。此外，LiDB 还提供了部分寿命，这些寿命可提供有关每个状态的主要辐射衰变通道的信息。目前已有 35 种中性原子和 19 种单电荷原子的数据集，未来还会增加新的种类。LiDB 可在 www.exomol.com/lidb 免费获取，用户可以动态查看原子和分子数据集，或使用应用编程接口（API）请求数据。

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引用次数: 0

Stark broadening of Sn II spectral lines 锡 II 光谱线的斯塔克增宽

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-06 DOI: 10.1016/j.jqsrt.2024.109241

Milan S. Dimitrijević , Magdalena D. Christova , Cristina Yubero , Sylvie Sahal-Bréchot

Our objective is to provide reliable Stark broadening data for Sn II spectral lines needed for astrophysics, plasma physics, fusion research, and different plasmas in laboratory and technology. We used the semiclassical perturbation method for the calculation of Stark broadening parameters, full widths at half intensity maximum and shifts for 44 spectral lines of singly charged tin ion (Sn II), for collisions with electrons and protons. The obtained results have been compared with the existing experimental and theoretical results and used to demonstrate the influence of Stark broadening mechanism on spectral lines of Sn II in stellar atmospheres.

我们的目标是为天体物理学、等离子体物理学、核聚变研究以及实验室和技术中的不同等离子体提供可靠的锡离子（Sn II）光谱线的斯塔克展宽数据。我们采用半经典扰动法计算了单电荷锡离子（Sn II）与电子和质子碰撞时 44 条光谱线的斯塔克展宽参数、半强度最大值全宽和位移。所得结果与现有的实验和理论结果进行了比较，并用于证明斯塔克展宽机制对恒星大气中锡离子（Sn II）光谱线的影响。

引用次数: 0

Using hybrid deep learning to predict spectral responses of quantum dot-embedded nanoporous thin-film solar cells 利用混合深度学习预测量子点嵌入式纳米多孔薄膜太阳能电池的光谱响应

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-05 DOI: 10.1016/j.jqsrt.2024.109258

Farhin Tabassum , George-Rafael Domenikos , Shima Hajimirza

In this study, we propose an innovative design for nanoporous Si thin film (NPTF) solar cell, seamlessly integrated with semiconducting (CdSe)ZnS Quantum Dots (QDs), without the need for additional metal-dielectric interfaces to attain plasmonic like effects. The intricate network of randomized nano-scaled pores within thin film creates similar enhancement, complemented by QDs inducing excitonic resonances, and amplifying localized electromagnetic field density. To evaluate the spectral responses of the structure we use a supervised trained surrogate model. To train the model, we generate ground truth datasets by solving Maxwell's equations in the design domain and, subsequently, applying charge carrier dynamics model to evaluate the external quantum efficiency (EQE). To predict the spectral response for this stochastic design with randomized pore and QD positions, we feed the ground truth data to a customized Hybrid Deep Learning (HDL) model through in-vitro geometric features fused with dynamic features of QDs. The dynamic features are extracted using an electron dynamics (ED) study. We then evaluate the prediction accuracy of our HDL model. Results show that our designed model can predict absorptivity with an accuracy of R² > 0.96, and EQE with an accuracy of R² > 0.98. This investigation highlights the potential of coupling nanoporous thin film solar cells with QDs, an observed localized enhancement phenomenon, and HDL model to achieve high-performance thin-film solar cells, characterized by improved external quantum efficiency without using metal-dielectric interfaces.

在这项研究中，我们提出了一种创新的纳米多孔硅薄膜（NPTF）太阳能电池设计方案，该方案与半导体（硒化镉）锌量子点（QDs）无缝集成，无需额外的金属-电介质界面即可实现类似等离子体的效果。薄膜中错综复杂的随机纳米级孔隙网络也产生了类似的增强效果，而 QDs 则可诱发激子共振，并放大局部电磁场密度。为了评估该结构的光谱响应，我们使用了一个经过监督训练的代理模型。为了训练模型，我们通过求解设计域中的麦克斯韦方程来生成基本真实数据集，然后应用电荷载流子动力学模型来评估外部量子效率（EQE）。为了预测这种具有随机孔隙和 QD 位置的随机设计的光谱响应，我们通过体外几何特征与 QD 动态特征的融合，将地面实况数据输入定制的混合深度学习 (HDL) 模型。动态特征是通过电子动力学（ED）研究提取的。然后，我们评估了 HDL 模型的预测准确性。结果表明，我们设计的模型预测吸收率的准确度为 R2 > 0.96，预测 EQE 的准确度为 R2 > 0.98。这项研究凸显了将纳米多孔薄膜太阳能电池与 QDs、观测到的局部增强现象和 HDL 模型结合起来的潜力，从而实现高性能薄膜太阳能电池，其特点是无需使用金属-电介质界面即可提高外部量子效率。

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引用次数: 0

Size-dependent optical properties and thermal response of Fe/Co/Ni@Au and Fe/Co/Ni@Ag core-shell nanospheres 铁/钴/镍@金和铁/钴/镍@银核壳纳米球的光学特性和热响应与尺寸有关

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-02 DOI: 10.1016/j.jqsrt.2024.109251

Kailash, SS Verma

In this work, Mie theory is employed to study the opto-thermal response of magneto plasmonic Fe/Co/Ni@Au and Fe/Co/Ni@Ag core-shell nanostructures of different sizes in the presence of dielectric media (i.e., water) is investigated numerically. The optical and thermal characteristics from the Fe, Co, and Ni as core material with noble metal Au and Ag as coating (shell) material are susceptible to being well-tuned by controlling the dimensions of both core and shell, based on the research being conducted at the moment. The SPR wavelength spectra of magnetic core Fe /Co /Ni (radii ranging from 10–40 nm) with Au and Ag coating (fixed shell thickness of 5, 10, and 15 nm), nanostructures are tuned from 231–528 nm and 364–420 nm, respectively. The maximum temperature obtained near the surface of Fe/Co/Ni@Au and Fe/Co/Ni@Ag nanospheres with the optimized size is 2.09℃ / 2.09 ℃ / 2.23 ℃ and 2.30 ℃ / 2.33 ℃ / 2.33 ℃, respectively. It can be observed that the surface plasmon resonance (SPR) is located in the vicinity of the ultraviolet (UV) and infrared (IR) domains of the electromagnetic (EM) spectra. The temperature rise noticed in the nanoparticle (NP) has been attributed to enhanced absorbance efficiency.

本研究采用米氏理论，对不同尺寸的磁等离子体 Fe/Co/Ni@Au 和 Fe/Co/Ni@Ag 核壳纳米结构在介电介质（即水）存在下的光热响应进行了数值研究。根据目前正在进行的研究，以 Fe、Co 和 Ni 为核材料，以贵金属 Au 和 Ag 为涂层（壳）材料，通过控制核和壳的尺寸，可以很好地调节其光学和热学特性。磁芯铁/钴/镍（半径范围为 10-40 纳米）与金和银涂层（外壳厚度固定为 5、10 和 15 纳米）纳米结构的 SPR 波长光谱分别调谐为 231-528 纳米和 364-420 纳米。优化尺寸的 Fe/Co/Ni@Au 和 Fe/Co/Ni@Ag 纳米球表面附近的最高温度分别为 2.09 ℃ / 2.09 ℃ / 2.23 ℃ 和 2.30 ℃ / 2.33 ℃ / 2.33 ℃。可以看出，表面等离子体共振（SPR）位于电磁（EM）光谱的紫外线（UV）域和红外线（IR）域附近。纳米粒子（NP）的温度升高是由于吸收效率提高所致。

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引用次数: 0

Calculation of collisional line-broadening and shifting of acetylene using Complex Robert–Bonamy–Ma approach 使用复合罗伯特-博纳米-马方法计算乙炔的碰撞线宽和位移

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-02 DOI: 10.1016/j.jqsrt.2024.109225

Andrei Sokolov , Sergei N. Yurchenko , Jonathan Tennyson , Robert R. Gamache , Bastien Vispoel

A comprehensive semi-classical study of the collisional line broadening and shift coefficients of C

_{2}

H

_{2}

by several key perturbers (H

_{2}

, He, N

_{2}

, C

_{2}

H

_{2}

, CO, and CO₂) for astronomical applications using the Complex Robert–Bonamy–Ma (CRBM) framework is presented. Following the CRBM computational protocol, the intermolecular interaction potentials are constructed from atom–atom and electrostatic interactions, and then fitted to reproduce experimental room-temperature line-broadening parameters taken from the literature. In total, 657 experimental values are used in the fitting. The empirical potentials are then used to predict line broadening coefficients over a wide temperature range. Reference collisional line widths

γ_{0}

and temperature exponents

n

for the commonly used single-power law are produced, as well as a set of parameters for the double-power law, which better reproduces the temperature dependence of theoretical predictions. The vibrational dependence of the line widths is studied using a new ab initio isotropic polarizability surface of C

_{2}

H

_{2}

and is found to be negligible. The computed line broadening parameters are found to agree well with the experimental data, while the modelling of line shifts of HCCH is not satisfactory when compared to the experiment. The new line broadening data of C

_{2}

H

_{2}

with the

J

(or

m

) dependence have been used to populate the ExoMol database www.exomol.com as part of the ExoMol pressure-broadening diet and can be used to model opacities of atmosphere of (extrasolar) planets. The CRBM methodology tested here on C

_{2}

H

_{2}

can be used for other similar (closed-shell) systems in ExoMol that are important for exoplanetary atmospheric studies.

本文采用复杂罗伯特-波纳密-马（CRBM）框架，对 C2H2 与几种关键扰动剂（H2、He、N2、C2H2、CO 和 CO2）的碰撞线展宽和位移系数进行了全面的半经典研究，以满足天文应用的需要。按照 CRBM 计算协议，通过原子-原子和静电相互作用构建分子间相互作用势，然后拟合以重现文献中的实验室温线宽参数。拟合中总共使用了 657 个实验值。然后使用经验电势来预测宽温度范围内的线展宽系数。得出了常用单幂律的碰撞线宽 γ0 和温度指数 n，以及双幂律的一组参数，后者更好地再现了理论预测的温度依赖性。使用新的 C2H2 原子各向同性极化表面研究了线宽的振动依赖性，发现振动依赖性可以忽略不计。计算得出的线宽参数与实验数据十分吻合，而 HCCH 的线偏移建模与实验相比并不令人满意。具有 J（或 m）相关性的 C2H2 新线展宽数据已被用于填充 ExoMol 数据库 www.exomol.com，作为 ExoMol 压力展宽饮食的一部分，并可用于模拟（太阳系外）行星大气的不透明性。本文在 C2H2 上测试的 CRBM 方法可用于 ExoMol 中对系外行星大气研究非常重要的其他类似（闭壳）系统。

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引用次数: 0

The electronic spectra of trifluoroacetic acid and chlorodifluoroacetic acid in the 4.5 – 10.8 eV photon energy region 三氟乙酸和二氟氯乙酸在 4.5 - 10.8 eV 光子能量区的电子光谱

IF 2.3 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2024-11-01 DOI: 10.1016/j.jqsrt.2024.109257

P.S. Puppi , A. Souza Barbosa , N.C. Jones , S.V. Hoffmann , U.S. Akther , N.J. Mason , P. Limão-Vieira

Synchrotron radiation has been used to record for the first time absolute vacuum ultraviolet photoabsorption cross-sections of trifluoroacetic acid (TFA) and chlorodifluoroacetic acid (CDFA) in the 4.5–10.8 eV energy range. In order to further our knowledge of the major electronic transitions and thus help interpret the photoabsorption data, theoretical calculations using time-dependent density functional theory (TD-DFT) level have been performed. These calculations have provided important information on the nature of the excited electronic states which have been assigned to valence, mixed valence-Rydberg and Rydberg transitions. Due to the lack of any information about CDFA ionic states, we also provide Equation-of-Motion Coupled-Cluster Single and Doubles (EOM-CCSD) vertical ionisation energies. Photolysis lifetimes in the Earth's atmosphere for both chemical compounds have also been estimated from the absolute photoabsorption cross-section data.

利用同步辐射首次记录了三氟乙酸（TFA）和二氟氯乙酸（CDFA）在 4.5-10.8 eV 能量范围内的绝对真空紫外光吸收截面。为了进一步了解主要的电子跃迁，从而帮助解释光吸收数据，我们使用时间相关密度泛函理论（TD-DFT）水平进行了理论计算。这些计算提供了有关激发电子态性质的重要信息，这些电子态被归类为价态、价-雷伯格混合态和雷伯格跃迁态。由于缺乏有关 CDFA 离子状态的任何信息，我们还提供了运动方程耦合-簇单倍和双倍（EOM-CCSD）垂直电离能。我们还根据绝对光吸收截面数据估算了这两种化合物在地球大气中的光解寿命。

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引用次数: 0