Publication Abstracts

Green 1977

Green, S., 1977: Comment on fitting ab initio intermolecular potentials for scattering calculations. J. Chem. Phys., 67, 715-717, doi:10.1063/1.434877.

The angular dependence of the interaction between two rigid linear rotors is considered, and on of the two expansions in current use is shwn to be inappropriate. Interpolation of tabulated radial interactions is also discussed, and nuimerical tests are presented which demonstrate the accuracy of Lagrange and spline algorithms as a function of the spacing between points.

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BibTeX Citation

@article{gr07500u,
  author={Green, S.},
  title={Comment on fitting ab initio intermolecular potentials for scattering calculations},
  year={1977},
  journal={Journal of Chemical Physics},
  volume={67},
  pages={715--717},
  doi={10.1063/1.434877},
}

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RIS Citation

TY  - JOUR
ID  - gr07500u
AU  - Green, S.
PY  - 1977
TI  - Comment on fitting ab initio intermolecular potentials for scattering calculations
JA  - J. Chem. Phys.
JO  - Journal of Chemical Physics
VL  - 67
SP  - 715
EP  - 717
DO  - 10.1063/1.434877
ER  -

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