Spin-orbit induced predissociation of the B-2 Sigma(-)(g) and 2(2)Sigma(+)(g) states of the O-2(+) ion

Mitrushenkov A.; Palmieri P.; Chambaud G.; Rosmus P.

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Spin-orbit induced predissociation of the B-2 Sigma(-)(g) and 2(2)Sigma(+)(g) states of the O-2(+) ion

机译：自旋轨道诱导的O-2（+）离子的B-2 Sigma（-）（g）和2（2）Sigma（+）（g）状态预分解

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Highly correlated MRCI electronic wavefunctions are used to calculate the potential energy functions, the non-adiabatic and the spin-orbit coupling elements for the B(2)Sigma(g)(-) and neighboring states of the O-2(+) ion. The results are employed in calculations of the spectroscopic constants and the spin-orbit induced predissociation lifetimes using the complex scaling method. The dominant predissociation path correlating with the O+O+ atoms in their ground states is found to proceed via the f(4)Pi(g) state. The path leading to the O(D-1) + O+(S-4) asymptote involves couplings with the 2(2)Pi(g) and 2(4)Pi(g) states. The weak vibrational progression embedded in the progression of the B-state is assigned to the 2(2)Sigma(g)(+) state. The predissociative lifetimes are calculated to be distinctly longer than the apparent experimental lifetimes reported previously. (C) 2003 Elsevier B.V. All rights reserved. [References: 16]

机译：高度相关的MRCI电子波函数用于计算B（2）Sigma（g）（-）和O-2（+）离子邻态的势能函数，非绝热和自旋轨道耦合元素。使用复杂的缩放方法，将结果用于计算光谱常数和自旋轨道引起的预离解寿命。发现与基态中O + O +原子相关的主要预离解路径通过f（4）Pi（g）状态进行。导致O（D-1）+ O +（S-4）渐近线的路径涉及2（2）Pi（g）和2（4）Pi（g）状态的耦合。嵌入B状态进程中的弱振动进程被指定为2（2）Sigma（g）（+）状态。计算出解离前的寿命明显长于先前报道的表观实验寿命。（C）2003 Elsevier B.V.保留所有权利。 [参考：16]

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《Chemical Physics Letters》 |2003年第6期|共7页
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Mitrushenkov A.; Palmieri P.; Chambaud G.; Rosmus P.;
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Configuration-interaction calculations; Field ionization photoelectron; Interaction wave-functions; Dynamics; Spectra;

机译：构型相互作用计算场电离光电子相互作用波函数动力学光谱;

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1. Spin-orbit induced predissociation of the B-2 Sigma(-)(g) and 2(2)Sigma(+)(g) states of the O-2(+) ion [J] . Mitrushenkov A., Palmieri P., Chambaud G., Chemical Physics Letters . 2003,第5a6期

机译：自旋轨道诱导的O-2（+）离子的B-2 Sigma（-）（g）和2（2）Sigma（+）（g）状态预分解
2. Spin-orbit effect in the energy pooling reaction O-2(a (1)Delta)+O-2(a (1)Delta)- O-2(b (1)Sigma)+O-2(X (3)Sigma) [J] . Lu RF, Zhang PY, Chu TS, The Journal of Chemical Physics . 2007,第12期

机译：能量汇集反应中的自旋轨道效应O-2（a（1）Delta）+ O-2（a（1）Delta）-> O-2（b（1）Sigma）+ O-2（X（3 ）西格玛
3. Spin-orbit effect in the energy pooling reaction O-2(a (1)Delta)+O-2(a (1)Delta)- O-2(b (1)Sigma)+O-2(X (3)Sigma) [J] . Lu RF, Zhang PY, Chu TS, The Journal of Chemical Physics . 2007,第12期

机译：能量汇集反应中的自旋轨道效应O-2（a（1）Delta）+ O-2（a（1）Delta）-> O-2（b（1）Sigma）+ O-2（X（3 ）西格玛
4. Harmonic distortion analysis of switched-capacitor based second-order sigma-delta modulator induced by operational amplifier's limited slew rate [C] . Hong-Wei Ma, Jian-Hui Wu 2015 IEEE Advanced Information Technology, Electronic and Automation Control Conference . 2015

机译：运算放大器的有限摆率引起的基于开关电容器的二阶sigma-delta调制器的谐波失真分析
5. Laser-induced acoustic desorption mass spectrometry in studying the reactivity of aromatic sigma,sigma-biradicals toward trinucleoside diphosphates and in chemical ionization of nonpolar lipids. [D] . Jin, Zhicheng. 2010

机译：激光诱导声解吸质谱法用于研究芳族sigma，sigma-双自由基与三核苷二磷酸的反应性以及非极性脂质的化学电离。
6. Expression of a stress- and starvation-induced dps/pexB-homologous gene is controlled by the alternative sigma factor sigmaB in Bacillus subtilis. [O] . H Antelmann, S Engelmann, R Schmid, 1997

机译：应激和饥饿诱导的dps / pexB同源基因的表达由枯草芽孢杆菌中的替代sigma因子sigmaB控制。
7. Structure and predissociation of the 3p sigma D-u (3)Sigma(+)(u) Rydberg state of N2: First extreme-ultraviolet and new near-infrared observations, with coupled-channels analysis [O] . Lewis, B.R., Baldwin, K.G.H., Heays, A.N., 2008

机译：N2的3p sigma D-u（3）Sigma（+）（u）Rydberg状态的结构和预解离：首次紫外和新近红外观测，以及耦合通道分析
8. Argon Ion and Dye Laser Induced MgO B Singlet Sigma plus - X Singlet Sigma plus and B Singlet Sigma plus - A Singlet Pi Photoluminescense Spectra, Analysis of a Triplet Pi Irregular Approximately X Singlet Sigma plus Perturbations. [R] . Ikeda, T., Wong, N. B., Harris, D. O., 1977

机译：氩离子和染料激光诱导mgO B单重态西格玛加 - X单重态西格玛加和B单重态西格玛加 - 单重态pi光致发光光谱，三重态pi不规则近似X单重态西格玛加扰动的分析。

Spin-orbit induced predissociation of the B-2 Sigma(-)(g) and 2(2)Sigma(+)(g) states of the O-2(+) ion

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