All Outputs (2)

Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon (1998)
Journal Article
Thibault, F., Boissoles, J., Boulet, C., Ozanne, L., Bouanich, J. P., Roche, C. F., & Hutson, J. M. (1998). Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon. The Journal of Chemical Physics, 109(15), 6338-6345. https://doi.org/10.1063/1.477187

The accuracy of the energy-corrected sudden (ECS) formalism for line shape calculations is investigated, using coupled states calculation for CO2–Ar collisions on the recently developed “single repulsion” potential of Hutson et al. [J. Chem. Phys. 10... Read More about Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon.

Total differential cross sections for Ar–CH4 from an ab initio potential (1998)
Journal Article
Heijmen, T. G. A., Moszynski, R., Wormer, P. E. S., van der Avoird, A., Buck, U., Steinbach, C., & Hutson, J. M. (1998). Total differential cross sections for Ar–CH4 from an ab initio potential. The Journal of Chemical Physics, 108(12), 4849-4853. https://doi.org/10.1063/1.475894

Total differential cross sections for the Ar–CH4 scattering complex at ECM=90.1 meV were obtained from converged close-coupling calculations based on a recent ab initio potential computed by symmetry-adapted perturbation theory (SAPT). Agreement with... Read More about Total differential cross sections for Ar–CH4 from an ab initio potential.