Further developments and applications of sensitivity analysis to collisional energy transfer
Creators
- 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