Theoretical study of nonlinear triatomic molecular potential energy surfaces: Lie algebraic method

被引：4

作者：

Zheng, YJ ^{[1
]}

Ding, SL ^{[1
]}

机构：

[1] Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China

来源：

SCIENCE IN CHINA SERIES B-CHEMISTRY | 2000年 / 43卷 / 03期

基金：

中国国家自然科学基金;

关键词：

triatomic molecule; potential energy surface; highly excited vibrational states; Lie algebra;

D O I：

10.1007/BF02969518

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Triatomic molecular potential energy surfaces (PES) are obtained by using coherent state to take the classical limits of algebraic Hamiltonian. The algebraic Hamiltonian for bent triatomic molecules can be obtained using Lie algebraic method (the expansion coefficients are obtained by fitting spectroscopic data). This PES is applied to H2O molecule, and good results are obtained.

引用

页码：247 / 252

页数：6

共 50 条

[31] Study on Lie algebraic method for calculating high-order canonical magnetic deflection aberrations
Hu, KY
Zhu, JP
Tang, TT
DISPLAY DEVICES AND SYSTEMS II, 1998, 3560 : 207 - 216
[32] Theoretical study on the potential energy surface and vibrational energy levels of HXeI
Zheng Guo Huang~(a
Chinese Chemical Letters, 2008, (04) : 501 - 504
[33] Theoretical study on the potential energy surface and vibrational energy levels of HXeI
Huang, Zheng Guo
Yang, En Cui
Xie, Dai Qian
CHINESE CHEMICAL LETTERS, 2008, 19 (04) : 501 - 504
[34] Chrysophanol anthrone: a theoretical study on the potential energy surface
Tun-Rosado, Fernando J.
Mena-Rejon, Gonzalo J.
Carballo, Ruben M.
Miron-Lopez, Gumersindo
Quijano-Quinones, Ramiro F.
MOLECULAR SIMULATION, 2016, 42 (17) : 1468 - 1474
[35] Theoretical study on the potential energy surface of the CS plus NO reaction
Bai Hong-Tao
Sun Cheng-Yuan
Zhan Jun
Sun Fu-Xiang
Xi Hai-Shan
Huang Xu-Ri
ACTA CHIMICA SINICA, 2007, 65 (17) : 1762 - 1766
[36] Theoretical study of the Si2NO potential energy surface
Yu, Guang-Tao
Huang, Xu-Ri
Ding, Yi-Hong
Chen, Wei
Sun, Chia-Chung
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 107 (05) : 1181 - 1193
[37] Theoretical Study on Dissociation Potential Energy Surface of Peroxynitric Acid
Wei, Wen-mei
Zheng, Ren-hui
Wu, Yun-kai
Yang, Fan
Hong, Shi
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 27 (06) : 659 - 662
[38] Ab initio molecular dynamics benchmarking study of machine-learned potential energy surfaces for the HBr+
Fujioka, Kazuumi
Lam, Eric
Loi, Brandon
Sun, Rui
CARBON TRENDS, 2023, 11
[39] Vibrational IR Active Spectra of Copper (II) Chloride and Cobalt (II) Chloride: A Combined Experimental and Theoretical Lie Algebraic Study
Thakurata, Debasish Guha
Kalyan, Ashim
Sen, Rupam
Bhattacharjee, Ramendu
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2014, 11 (03) : 776 - 780
[40] Following the streambed reaction on potential-energy surfaces: a new robust method
Quapp, W
Hirsch, M
Heidrich, D
THEORETICAL CHEMISTRY ACCOUNTS, 2000, 105 (02) : 145 - 155

← 1 2 3 4 5 →