Published January 2021 | Version v1
Journal article

Phase-space propagation and stability analysis of the 1-dimensional Schrödinger equation for finding bound and resonance states of rotationally excited H 2

  • 1. Department of Chemical Sciences, Universidad Icesi, Cali (Colombia)

Description

Highlights: • Phase-space trajectories of the 1-dimensional radial Schrödinger equation. • Phase-space stability analysis and critical points. • Bound and resonance states obtained from minimizing the arc-length of trajectories. • Bound and resonance states obtained from winding number discontinuities. A phase-space representation of the 1-dimensional Schrödinger equation is employed to obtain bound and resonance states of rotationally excited H2. The structure of the phase-space tangent field is analyzed and related to the behavior of the wave function in classically allowed and forbidden regions. In this phase-space representation, bound states behave like unstable orbits meanwhile resonance states behave like asymptotically stable cycles. The arc length and winding number of the phase-space trajectories, as functions of the energy, are used to obtain the energy eigenvalues of bound and resonance states of H2.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2020.138171

Additional details

Identifiers

DOI
10.1016/j.cplett.2020.138171;
PII
S0009261420310782;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
762
Journal Page Range
vp.
ISSN
0009-2614
CODEN
CHPLBC

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54086547
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BOUND STATE; EIGENVALUES; ENERGY LEVELS; MOLECULES; ONE-DIMENSIONAL CALCULATIONS; ORBITS; PHASE SPACE; STABILITY; WAVE FUNCTIONS
Descriptors DEC
FUNCTIONS; MATHEMATICAL SPACE; SPACE

Optional Information

Copyright
Copyright (c) 2020 Elsevier B.V. All rights reserved.