Non-Markovian dynamics of electron-molecule collision complexes

Journal Article · Tue Aug 01 00:00:00 EDT 1989 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.40.1262· OSTI ID:5961460

Estrada, H; Domcke, W

The time-dependent description of the dynamics of electron-molecule collision complexes is outlined within the framework of Feshbach's projection-operator formalism. It is shown that the equation of motion for the quantum-mechanical wave packet representing the collision complex contains effective-potential terms which are nonlocal as well as non-Markovian, that is, the time development depends on the previous history of the system. The space-time integro-differential equation of motion is explicitly (numerically) solved for a class of simple models using expansions into complete sets of functions in both space and time. The exact wave-packet dynamics is compared with the results obtained in the local-complex-potential approximation, which corresponds to the Markovian approximation for the decay dynamics. The concepts and numerical methods are illustrated for a model of the well-known /sup 2//Pi//sub g/ shape resonance in electron-N/sub 2/ scattering, where the boomerang effect is reproduced. For a model of a /ital p/-wave shape resonance near threshold, novel qualitative effects are revealed, namely, nonmonotonic electronic decay (recapture of electrons from the continuum) as well as strong frictional effects in the vibrational motion. The time-dependent description of virtual-state threshold effects in /ital s/-wave scattering is also briefly considered.

• Research Organization: Departamento de Fisica, Universidad Nacional de Colombia, Bogota, Colombia(CO); Institut fur Physikalische und Theoretische Chemie, Technische Universitat Munchen, D-8046 Garching, Federal Republic of Germany
• OSTI ID: 5961460
• Journal Information: Phys. Rev. A; (United States), Vol. 40:3
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ELECTRON-MOLECULE COLLISIONS
PROJECTION OPERATORS
ANIONS
AUTOIONIZATION
COMPLEXES
DIABATIC APPROXIMATION
NONLOCAL POTENTIAL
RESONANCE
TRANSIENTS
CHARGED PARTICLES
COLLISIONS
ELECTRON COLLISIONS
IONIZATION
IONS
MATHEMATICAL OPERATORS
MOLECULE COLLISIONS
POTENTIALS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena