吕艳玲

主要研究方向：

分子势能面及分子反应动力学

激发态氢键动力学

科研工作：

近年来主要从事高精度分子势能面及分子反应动力学的研究，涉及到的研究内容包括：(1) 构建高精度分子的基态和激发态势能面；(2) 分析分子体系中电子态势能面绝热交叉；(3) 基于势能面进一步研究体系动力学微观反应机制，为新材料的开发和研制以及热化学碰撞反应提供理论基础。

代表性学术成果：

1. Y. L. Lü, H. N. Wang, C. Y. Zhang, Q. Guo, Y. Q. Li. Accurate many-body expansion potential energy surface for AlH₂(2²A′) and quantum dynamics in Al(³P) + H₂(v₀ = 0-3, j₀ = 0,2,4,6) collisions [J]. Physical Chemistry Chemical Physics. 2022.

2. Y. L. Lü, C. Y. Zhang, H. Y. Ma, Q. Guo and Y. Q. Li. The global potential energy surface of PH₂⁺(2¹A′) extrapolated to the complete basis set limit [J]. Journal of Physics B: Atomic, Molecular and Optical Physics. 2021.

3. Y. L. Lü, S. J. Chai, H. Y. Ma, S. B. Gao and Y. Q. Li. Globally accurate potential energy surface for PH₂⁺(1¹A′) by using the switching function formalism. Molecular Physics. 2020.

4. H. N. Wang, Y. L. Lü, C. Y. Zhang and Y. Q. Li. Accurate ab initio based global adiabatic potential energy surfaces for the 1³A′′, 1³A′ and 2¹A′ states of SiH₂[J]. Physical Chemistry Chemical Physics, 2023.

5. H. N. Wang, Y. L. Lü, J. X. Chen, Y. Z. Song, C. Y. Zhang and Y. Q. Li. An accurate many-body expansion potential energy surface for SiH₂ (1¹A′) using a switching function formalism [J]. Physical Chemistry Chemical Physics, 2022.

邮箱：

2023119@aust.edu.cn