Naslov
Quantum Trajectories - Optimized Basis Functions For Coupled Channel Equations

Autori
Brenig, Wilhelm ; Brako, Radovan ; Hilf, Moritz F.

Izvornik
Zeitschrift für physikalische Chemie (0942-9352) 197 (1996), 1-2; 237-251

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
reaction dynamics; coupled channel equations; trajectory method

Sažetak
Coupled channel equations involving oscillators are formulated in terms of optimized basis functions. Rather than expanding the wave functions in terms of oscillator states centered around the minimum of the potential we use generalized oscillator states centered around the maximum of the wave functions. The number of channels needed in such an expansion can be greatly reduced in particular in situations with large shifts (compared to the width) of the wave function maximum away from the potential minimum. The generalized oscillator states contain four parameters: A position, a momentum and a (complex) frequency which are determined self consistently along the reaction path. We consider these four parameters as the ingredients of a so-called quantum trajectory: The resulting self consistency equations are close to classical trajectory equations for the oscillator coordinates coupled to a quantum translational motion. The procedure can be made virtually exact by taking sufficiently many excited oscillator states (""channels"") into account.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA