Complex autocorrelation function and energy spectrum by classical trajectory calculations.
نویسندگان
چکیده
A quasiclassical method which enables evaluation of complex autocorrelation function from classical trajectory calculations is proposed. The method is applied for two highly excited nonlinearly coupled harmonic oscillators in regimes prevailed either by regular or chaotic classical motions. A good agreement of classical and quantum autocorrelation functions is found within short (Ehrnfest) time limit. Fourier transforms of the autocorrelation functions provide moderate resolved energy spectra, where classical and quantum results nearly coincide. The actual energy levels are obtained from approximate short-time autocorrelation functions with the help of filter diagonalization. This study is a follow up to our previous work [P. Zdanska and N. Moiseyev, J. Chem. Phys. 115, 10608 (2001)], where the complex autocorrelation has been obtained up to overall phase factors of recurrences.
منابع مشابه
Chaotic ionization of a highly excited hydrogen atom in parallel electric and magnetic fields
We present results of our simulations of the ionization of a hydrogen atom excited to a Rydberg wave packet in the presence of external parallel electric and magnetic fields. This is an example of an open, quantum system whose classical counterpart has been shown to display chaos in the time domain. Within the framework of classical mechanics, electrons escape through chaos induced pulse trains...
متن کاملAdaptive Signal Detection in Auto-Regressive Interference with Gaussian Spectrum
A detector for the case of a radar target with known Doppler and unknown complex amplitude in complex Gaussian noise with unknown parameters has been derived. The detector assumes that the noise is an Auto-Regressive (AR) process with Gaussian autocorrelation function which is a suitable model for ground clutter in most scenarios involving airborne radars. The detector estimates the unknown...
متن کاملClassical Rate of Unimolecular Isomerization of Cyclobutanone
This paper presents calculations of the rate constant for the uni-molecular isomerization of cyclobutanone using the theory of Gray and Rice as extended by Zhao and Rice. Such calculations are also carried out from classical trajectory and from local Lyapunov function analysis. The results of the calculations as a function of energy are compared, and the agreement is found to be uniformly good....
متن کاملQuantum dynamics in double-well system with polychromatic perturbation using entangled trajectory molecular dynamics method
We investigate quantum dynamics in a double-well system subject to timedependent perturbation with some incommensurate frequencies using entangled trajectory molecular dynamics method. We first compare time evolution of energy of the driven system with two mode perturbation under classical dynamics with one under quantum dynamics, it is found that quantum dynamics obeys Ehrenfest’s theorem and ...
متن کاملDuality between quantum and classical dynamics for integrable billiards.
We establish a duality between the quantum wave vector spectrum and the eigenmodes of the classical Liouvillian dynamics for integrable billiards. Signatures of the classical eigenmodes appear as peaks in the correlation function of the quantum wave vector spectrum. A semiclassical derivation and numerical calculations are presented in support of the results. These classical eigenmodes can be o...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The Journal of chemical physics
دوره 121 13 شماره
صفحات -
تاریخ انتشار 2004