Published November 15, 1980 | Version v1
Journal article

Further developments and applications of sensitivity analysis to collisional energy transfer

  • 1. Department of Chemistry, Princeton University, Princeton, New Jersey 08544

Description

This paper considers the sensitivity of collision cross sections to the variation of intermolecular potential parameters. The study is restricted to the scattering of an atom and a linear rigid rotor, and to an atom and a breathing sphere. Attention is focused upon first order sensitivity coefficients (i.e., the gradient of cross sections with respect to potential parameters) from which an entire family of derived sensitivity coefficients may be obtained. Within this family a special class of coefficients is shown to be particularly important in determining the extent to which a set of measurements is able to define the parameters of an assumed potential. Finally, the global behavior of cross sections in parameter space is examined, and a nonlinear interpolation formula is suggested which utilizes sensitivity information

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
73
Journal Issue
10
Series
J. Chem. Phys.
Journal Page Range
4998-5012
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
12586363
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOM-MOLECULE COLLISIONS; COUPLING; CROSS SECTIONS; FLUCTUATIONS; INTERMOLECULAR FORCES; ROTATIONAL STATES; SENSITIVITY; VIBRATIONAL STATES
Descriptors DEC
ATOM COLLISIONS; COLLISIONS; ENERGY LEVELS; EXCITED STATES; MOLECULE COLLISIONS; VARIATIONS