V. Laporta, J. Tennyson, I. F. Schneider
A theoretical investigation of the dissociative excitation by electron impact on the NO molecule is presented, aiming to make up for the lack of data for this process in the literature. A full set of vibrationally-resolved cross sections and corresponding rate coefficients are calculated using the Local-Complex-Potential approach and five resonant states of NO^-.
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Motivated by the huge need of data for non-equilibrium plasma modeling, a theoretical investigation of dissociative electron attachment to the NO molecule is performed. The calculations presented here are based on the Local-Complex-Potential approach, taking into account five NO$^-$ resonances. Three specific channels of the process are studied, including the production of excited nitrogen atoms $\mathrm{N}(^2\mathrm{D})$ and of its anions N$^-$. Interpretation of the existing experimental data and their comparison with our theoretical result are given. A full set of ro-vibrationally-resolved …
State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground state, the main contribution for both processes comes from the $^2Π_u$ resonance state of $O_2^-$ but with a significant contribution from the $^4Σ$ resonant state. Vibrational excitation leads to an increased contribution from the low-lying $^2Π_{g}$ resonance, greatly increased cross sections for both processes, and the threshold moving to lower energies.…
Electron-impact cross sections for the dissociation process of vibrationally excited He2+ molecular ion, as a function of the incident electron energy are calculated for the dissociative transition X2Σ+u \to A2Σ+g by using the R-matrix method in the adiabatic-nuclei approximation. The potential energy curves for the involved electronic states and target properties, also calculated with the R-matrix method, were found to be in good agreement with the results reported in literature.
Electron-impact cross sections for dissociation processes of vibrationally excited CH radical
本文通过从头算R矩阵方法和局部复势框架，研究了电子冲击诱导振动激发CH自由基解离过程的截面，为等离子体技术、燃烧过程和天体物理应用提供了新的动力学理解。
Rate coefficients for dissociative recombination and state-to-state rotational transitions of the D$_{2}^{+}$ ion induced by collisions with very low-energy electrons have been reported following our previous studies on HD$^{+}$ and H$_{2}^{+}$ [9,10]. The same molecular structure data sets, excitations ($N_{i}^{+} \rightarrow$ $N_{f}^{+}=N_{i}^{+}+2$ for $N_{i}^{+}=0$ to $10$) and de-excitations ($N_{i}^{+}$ $\rightarrow$ $N_{f}^{+}=N_{i}^{+}-2$, for $N_{i}^{+}=2$ to $10$) were used for collision energies ranging from $0.01$ meV to $0.3$ eV. Isotopic effects for dissociative recombination and…
The article presents calculated dissociative recombination (DR) rate coefficients for H+3 . The previous theoretical work on H+3 was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states and it considered just a limited number of ionic rotational states. In this study, we use accurate vibrational wave functions and a larger number of possible rotational states of the H3+ ground vibrational level. The DR rate coefficient obtained is found to agree better with the experimental data from storage-ring experiments than the previous theoretical cal…
Vibrational excitation and dissociation of deuterium molecule by electron impact
本文使用局部复势方法研究电子-D2共振碰撞，给出了涉及基态和前两激发态的振动分辨截面，并考虑激发态间跃迁，为聚变等离子体偏滤器分离状态提供数据。
Time-resolved x-ray scattering (TRXS) measures internuclear separations in a molecule following laser-induced photoexcitation. The molecular dynamics induced by the excitation laser may lie on one or several bound or dissociative electronic states. TRXS from these states can be difficult to isolate because they generally overlap in the angle-resolved x-ray scattering pattern $I(x,y,τ)$, where $τ$ is the pump-probe delay and $x,y$ are the physical pixel positions. Here we show how standard transform methods can isolate the dynamics from individual states. We form the temporal Fourier transform,…
We investigate the ionization of HeNe from below the He 1s3p excitation to the He ionization threshold. We observe HeNe$^+$ ions with an enhancement by more than a factor of 60 when the He side couples resonantly to the radiation field. These ions are an experimental proof of a two-center resonant photoionization mechanism predicted by Najjari et al. [Phys. Rev. Lett. 105, 153002 (2010)]. Furthermore, our data provide electronic and vibrational state resolved decay widths of interatomic Coulombic decay (ICD) in HeNe dimers. We find that the ICD lifetime strongly increases with increasing vibra…
Unified treatment of resonant and non-resonant mechanisms in dissociative recombination: benchmark study of CH$^+$
本文提出了一种统一处理解离重组机制的理论方法，并通过CH$^+$碰撞的截面计算验证了其有效性。
Vibrationally Resolved Inner-Shell Photoexcitation of the Molecular Anion C$_2^-$
利用同步辐射光子-离子合并束技术高分辨测量 C$_2^-$ 的碳 1s 内壳层光激发，通过 Franck-Condon 与转动展宽分析确定其芯激发态光谱参数及 0.2 Å 键长收缩。
Photoionization from the ground and excited vibrational states of H+2 and its deuterated isotopologues
本文计算了H₂⁺、HD⁺和D₂⁺所有束缚振动态的光电离截面与速率系数，提供了基准数据和解析拟合公式，并发现其结果比文献值大几个数量级。
We investigate the dynamics of the photodissociation of the hydrohelium cation HeH$^+$ by XUV radiation with the aim to establish a detailed comparison with a recent experimental work carried out at the FLASH free electron laser using both vibrationally hot and cold ions. As shown in previous theoretical works, the comparison is hindered by the fact that the experimental ro-vibrational distribution of the ions is unknown. We determine this distribution using a dissociative charge transfer set-up and the same source conditions as in the FLASH experiment. Using a non-adiabatic time-dependent wav…
The collision-energy resolved rate coefficient for dissociative recombination of HD+ ions in the vibrational ground state is measured using the photocathode electron target at the heavy-ion storage ring TSR. Rydberg resonances associated with ro-vibrational excitation of the HD+ core are scanned as a function of the electron collision energy with an instrumental broadening below 1 meV in the low-energy limit. The measurement is compared to calculations using multichannel quantum defect theory, accounting for rotational structure and interactions and considering the six lowest rotational energy…
In this study, we present the ro-vibrationally resolved gas-phase spectrum of the diatomic molecule TiO around 1000\,cm$^{-1}$. Molecules were produced in a laser ablation source by vaporizing a pure titanium sample in the atmosphere of gaseous nitrous oxide. Adiabatically expanded gas, containing TiO, formed a supersonic jet and was probed perpendicularly to its propagation by infrared radiation from quantum cascade lasers. Fundamental bands of $^{46-50}$TiO and vibrational hotbands of $^{48}$TiO are identified and analyzed. In a mass-independent fitting procedure combining the new infrared d…
Vibrational excitation cross sections for non-equilibrium nitric oxide-containing plasma
本文基于第一性分子动力学和局部复势框架计算了NO分子的全套振动分辨截面，并通过态-态模型验证了其能准确描述非平衡等离子体中的电子-振动能量交换及电子输运参数，显著提升了模拟与实验数据的一致性。
Through a combined experimental and theoretical approach, we study the nonadiabatic dynamics of the prototypical ethylene (C$_2$H$_4$) molecule upon $π\rightarrow π^*$ excitation with 161 nm light. Using a novel experimental apparatus, we combine femtosecond pulses of vacuum ultraviolet (VUV) and extreme ultraviolet (XUV) radiation with variable delay to perform time resolved photo-ion fragment spectroscopy. In this second part of a two part series, the extreme ultraviolet (17 eV$ < h ν< 23$ eV) probe pulses are sufficiently energetic to break the C-C bond in photoionization, or photoionize th…
Small-Angle Differential Cross Sections for Symmetrical Resonant Charge Exchange in Molecular Hydrogen
本研究利用COLTRIMS测量了H⁺和H₂⁺与H₂碰撞中的小角散射，观察到基态通道的夫琅禾费衍射，并用简单模型重建了圆孔状散射中心。
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