Time-dependent wave-packet description of dissociative electron attachment

Journal Article · Sun Jan 31 23:00:00 EST 1993 · Physical Review A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.47.1031· OSTI ID:6723725

Gertitschke, P L; Domcke, W ^[1]

---

1. Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-8046 Garching (Germany)

A time-dependent description of the dissociative-attachment process is formulated within the framework of the projection-operator formalism of scattering theory. A generally applicable computational scheme for the solution of the resulting integro-differential equation of motion is developed. The concepts and computational techniques are illustrated for a model of a [ital d]-wave shape resonance as well as for the [ital p]-wave [sup 2][Sigma][sub [ital u]][sup +] shape resonance in electron-H[sub 2] collisions. It is shown that the time-dependent wave-packet picture yields qualitative insight into the dynamics of the dissociative-attachment reaction. The origin of the complete failure of the local-complex-potential approximation for the [sup 2][Sigma][sub [ital u]][sup +] resonance in [ital e]+H[sub 2] becomes apparent in the time-dependent picture.

• OSTI ID: 6723725
• Journal Information: Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 47:2; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

664300* -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
DIFFERENTIAL EQUATIONS
DISSOCIATION
ELECTRON ATTACHMENT
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
EQUATIONS
HYDROGEN
INTEGRAL EQUATIONS
MATHEMATICAL OPERATORS
MOLECULE COLLISIONS
NONMETALS
PROJECTION OPERATORS
TIME DEPENDENCE
WAVE PACKETS