Published October 2011 | Version v1
Journal article

Multichannel quantum defect theory for cold molecular collisions

  • 1. Joint Quantum Institute, NIST and the University of Maryland, Gaithersburg, Maryland 20899-8423 (United States)
  • 2. Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom)

Description

Multichannel quantum defect theory (MQDT) is shown to be capable of producing quantitatively accurate results for low-energy atom-molecule scattering calculations. With a suitable choice of reference potential and short-range matching distance, it is possible to define a matrix that encapsulates the short-range collision dynamics and is only weakly dependent on energy and magnetic field. Once this has been produced, calculations at additional energies and fields can be performed at a computational cost that is proportional to the number of channels N and not to N3. MQDT thus provides a promising method for carrying out low-energy molecular scattering calculations on systems where full exploration of the energy dependence and the field dependence is currently impractical.

Additional details

Publishing Information

Journal Title
Physical Review. A
Journal Volume
84
Journal Issue
4
Journal Page Range
p. 042703-042703.9
ISSN
1050-2947
CODEN
PLRAAN

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
44053489
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOM-MOLECULE COLLISIONS; ENERGY DEPENDENCE; MAGNETIC FIELDS; QUANTUM MECHANICS; SCATTERING
Descriptors DEC
ATOM COLLISIONS; COLLISIONS; MECHANICS; MOLECULE COLLISIONS

Optional Information

Notes
(c) 2011 American Institute of Physics