IR spectral density of weak H-bonds involving indirect damping. Part III: application to situations with multiple Fermi resonances
Description
The IR spectral density (SD) of the high frequency stretching mode of weak H-bonded complexes involving Fermi resonances is studied within the linear response theory from a full quantum mechanical point of view. The anharmonic coupling between the high frequency X-H-vector...Y and the low frequency X-vector-H...Y-vector modes is treated inside the strong anharmonic coupling theory, whereas Fermi resonances are introduced in the spirit of the work of Witkowski and Wojcik [Chem. Phys. 1 (1973) 9]. The relaxation of the fast and bending modes (direct damping) is treated as usual, whereas the indirect damping is incorporated by aid of our results of part I [Chem. Phys. 293 (2003) 9], dealing with the quantum theory of driven damped quantum harmonic oscillator. The IR SD is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode
Additional details
Identifiers
- DOI
- 10.1016/S0301-0104(03)00272-6;
- arXiv
- arXiv:cond-mat/0504370v2;
- PII
- S0301010403002726;
Publishing Information
- Journal Title
- Chemical Physics
- Journal Volume
- 293
- Journal Issue
- 1
- Journal Page Range
- p. 31-40
- ISSN
- 0301-0104
- CODEN
- CMPHC2
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 38084419
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- COMPLEXES; COUPLING; DAMPING; DIPOLE MOMENTS; FERMI RESONANCE; FOURIER TRANSFORMATION; HAMILTONIANS; HARMONIC OSCILLATORS; HYDROGEN; INFRARED SPECTRA; ISOTOPE EFFECTS; QUANTUM MECHANICS; RELAXATION; SPECTRAL DENSITY; USES
- Descriptors DEC
- ELEMENTS; FUNCTIONS; INTEGRAL TRANSFORMATIONS; MATHEMATICAL OPERATORS; MECHANICS; NONMETALS; QUANTUM OPERATORS; RESONANCE; SPECTRA; SPECTRAL FUNCTIONS; TRANSFORMATIONS
Optional Information
- Copyright
- Copyright (c) 2003 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.