Symmetry broken self-consistent field approximation for coupled oscillators
β Scribed by R. Lefebvre
- Book ID
- 104580897
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 346 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
β¦ Synopsis
Abstract
A selfβconsistent field approximation allowing for a change of coordinates is applied to a model of two coupled oscillators considered by Davis and Heller [J. Chem. Phys. 75, 246 (1981)]. The model accounts well for the unsymmetrical nonstationary states involved in the quantum dynamical tunneling phenomenon.
π SIMILAR VOLUMES
A semi-empirical NDDO method, generalized from a similar scheme at the CNDO/2 level developed previously, is presented to treat very large molecules. The extended molecular system is divided into a relatively small subsystem where substantial chemical changes take place and an environment remaining
western lJnn,ernry. Ebranston. Ilhnois 60201. USA The bmc-dependent Hartree approxuna(lon IS applied to mtramolecular dynamics or polyatomics with smooth, locally quadrauc potenual surfaces. It is shown that the full quantum solutron IS obtained from a ccrtam nn& sclf-connstent traJectory. An extrem
A simple coupled harmonic oscillator model is used to test the SCF and adiabatic approximations for coopled-mode sydems. Both approsbnations are quite good; both fair when the unperturbed frequencies of the two modes approach degeneracy. Whiie for two-mode systems the approximations are roughly COmp