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Potential Energy Curves and Spectroscopic Constants for the X exp 1 sigma exp + and A exp 1 sigma exp + States of the BeH exp + Molecule

机译：X exp 1 sigma exp +和a exp 1 sigma exp + BeH exp + molecule状态的势能曲线和光谱常数

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Using a 1322-term configuration interaction wavefunction potential energy curves are computed for the ground (X exp 1 sigma exp + ) and first excited (A exp 1 sigma exp + ) states of the BeH exp + molecule. Spectroscopic constants are obtained by means of a Dunham analysis. (Atomindex citation 14:803455)

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作者
Ornellas, F. R.;
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年度 1982
页码 p.1-10
总页数 10
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Beryllium Hydrides; Configuration Interaction; Excited States; Ground States; Numerical Solution; Potential Energy; Wave Functions;

机译：铍氢化物;配置相互作用;激发态;基态;数值解;势能;波函数;

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专利

1. Global diabatic potential energy surfaces for the BeH2+ system and dynamics studies on the Be+(P-2) + H-2(X-1 sigma(+)(g)) BeH+(X-1 sigma(+)) + H(S-2) reaction [J] . Yang Zijiang, Yuan Jiuchuang, Wang Shufen, RSC Advances . 2018,第40期

机译：BE +（P-2）+ H-2（x-1 sigma（+）（g））beh +（x-1 sigma（+））+ h（x-1 sigma（+））+ h（x-1 sigma（+））+ h（s -2）反应
2. Global diabatic potential energy surfaces for the BeH2+ system and dynamics studies on the Be+(P-2) + H-2(X-1 Sigma(+)(g)) -> BeH+(X-1 Sigma(+)) + H(S-2) reaction (vol 8, pg 22823, 2018) [J] . Yang Zijiang, Yuan Jiuchuang, Wang Shufen, RSC Advances . 2018,第44期

机译：BE +（P-2）+ H-2（X-1 sigma（+）（g）） - > beh +（x-1 sigma（+））+ h （S-2）反应（Vol 8，PG 22823,2018）
3. DOUBLE-MINIMUM POTENTIAL ENERGY CURVES RESULTING FROM ADIABATIC EFFECTS - THE 4S 3-SIGMA(+)(G) AND 4D 3-SIGMA(+)(G) STATES OF THE HYDROGEN MOLECULE [J] . Kolos W., Rychlewski J. Journal of Molecular Spectroscopy . 1996,第1期

机译：绝热效应产生的双-最小势能曲线-氢分子的4S 3-SIGMA（+）（G）和4D 3-SIGMA（+）（G）状态
4. Interpretation of spectroscopic constants of the asymptotically correct series for energies of rovibrational states of diatomic molecules [C] . A.V. Burenin, M.Y. Ryabikin All-union symposium and school on high-resolution molecular spectroscopy . 1992

机译：解释渐近序列系列的光谱常数，用于疣状分子的鲁钝状态能量
5. Spectroscopic investigation of the A(2)sigma(+) and D(2)sigma(-) states of the hydroxyl molecule [D] . Sparks, Daniel Aaron 1998

机译：光谱研究羟基分子的A（2）sigma（+）和D（2）sigma（-）状态
6. UDP-glucose is a potential intracellular signal molecule in the control of expression of sigma S and sigma S-dependent genes in Escherichia coli. [O] . J Böhringer, D Fischer, G Mosler, 1995

机译：UDP-葡萄糖是控制大肠杆菌中σS和σS依赖性基因表达的潜在细胞内信号分子。
7. Ab initio potential curves for the X $^2\Sigma_u^+$, A $^2\Pi_u$ and B $^2\Sigma_g^+$ states of Ca$_{2}^+$ [O] . Banerjee, Sandipan, Montgomery Jr., John A., Byrd, Jason N., 2014

机译：X $ ^ 2 \ sigma_u ^ + $，a $ ^ 2 \ pi_u $和B的从头开始潜在曲线 $ ^ 2 \ sigma_g ^ + $ $状态Ca $ _ {2} ^ + $
8. Quenching of Helium (2 3S): Potential Energy Curves for, and Nonadiabatic, Relativistic, and Radiative Couplings between, the a 3 Sigma (U)(+), A 1 Sigma(U)(+), b 3 Pi(g), B 1 Pi(g), C 3 Sigma(g)(+), and C 1 Sigma(g)(+) States of He2. [R] . Yarkony, D. R. 1989

机译：氦（2 3s）的猝灭：3 sigma（U）（+），a 1 sigma（U）（+），b 3 pi（g）之间的非绝热，相对论和辐射耦合的势能曲线，B 1 pi（g），C 3 sigma（g）（+）和C 1 sigma（g）（+）He2的状态。

Potential Energy Curves and Spectroscopic Constants for the X exp 1 sigma exp + and A exp 1 sigma exp + States of the BeH exp + Molecule

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