|
|
|
Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance: the dynamical potential approach |
| Fang Chao(房超) and Wu Guo-Zhen(吴国祯)† |
| Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China |
|
|
|
|
Abstract The vibrational dynamics of HOCl and HOBr between bending and OCl/OBr stretching coordinates with anharmonicity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dynamics is mostly mapped out by the classical nonlinear variables such as fixed points, except for the state energies, which are quantized. This approach is global in the sense that the focus is on a set of levels instead of individual ones. The dynamics of HOBr is demonstrated to be less complicated. The localized modes along the OCl/OBr stretching coordinates are also shown to have O--Br bonds more prone to dissociation.
|
Received: 19 May 2009
Revised: 18 June 2009
Accepted manuscript online:
|
|
PACS:
|
63.20.Ry
|
(Anharmonic lattice modes)
|
| |
63.20.Pw
|
(Localized modes)
|
|
| Fund: Project supported by the Research
Foundation from Ministry of Education of China (Grant No. 306020),
the Specialized Research Fund for the Doctoral Program of Higher
Education, China (Grant No. 20060003050), and the National Natural
Science Foundation of China (Grant No. 20373030). |
Cite this article:
Fang Chao(房超) and Wu Guo-Zhen(吴国祯) Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance: the dynamical potential approach 2010 Chin. Phys. B 19 010509
|
| [1] |
Jost R, Joyeux M, Skokov S and Bowman J M 1999 J. Chem. Phys. 111 6807
|
| [2] |
Peterson K A, Skokov S and Bowman J M 1999 J. Chem. Phys. 111 7446
|
| [3] |
Joyeux M, Sugny D, Lombardi M, Jost R, Schinke R, Skokov S and Bowman J M 2000 J. Chem. Phys. 113 9610
|
| [4] |
Weiss J, Hauschildt J, Grebenshchikov S Y, Duren R, Schinke R, Koput J, Stamatiadis S and Farantos S C 2000 J. Chem. Phys. 112 77
|
| [5] |
Peterson K A 2000 J. Chem. Phys. 113 4598
|
| [6] |
Joyeux M, Farantos S C and Schinke R 2002 J. Phys. Chem. 106 A 5407
|
| [7] |
Joyeux M, Grebenshchikov S Y, Bredenbeck J, Schinke R and Farantos S C 2005 Geometric Structures of Phase Space in Multidimensional Chaos: a special volume of advances in Chemical Physics, part A, 130 chapter 5
|
| [8] |
Azzam T, Schinke R, Farantos S C, Joyeux M and Peterson K A 2003 J. Chem. Phys. 118 9643
|
| [9] |
Fang C and Wu G Z 2009 Chin. Phys. B 18 1674
|
| [10] |
Heisenberg W 1925 Z. Physik 33 879
|
| [11] |
Wu G Z 2005 Nonlinearity and Chaos in Molecular Vibrations (Amsterdam: Elsevier)
|
| [12] |
Jung C and Taylor H S 2007 J. Phys. Chem. A 111 3047
|
| [13] |
Kellman M E 1985 J. Chem. Phys. 83 3843
|
| [14] |
Joyeux M, Sugny D, Tyng V, Kellman M, Ishikawa H, Field R W, Beck C and Schinke R 2000 J. Chem. Phys. 112 4162
|
| [15] |
Heller E J 1984 Phys. Rev. Lett. 53 1515
|
| [16] |
Ma Z Q, Hou X W and Xie M 1996 Phys. Rev. A 53 2173
|
| [17] |
Ding S and Zheng Y 1999 J. Chem. Phys. 111 4466
|
| [18] |
Hou X W, Chen J H and Ma Z Q 2006 Phys. Rev. A 74 062513
|
| [19] |
Liu Y, Zheng Y, Ren W and Ding S 2008 Phys. Rev. A 78 032523
|
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|
