Publication Abstracts

Green 1995

Green, S., 1995: Comment on symmetry of the interaction between an asymmetric rigid rotor and a linear rigid rotor. J. Chem. Phys., 103, 1035-1042, doi:10.1063/1.469813.

In fitting an ab initio potential for H2O-H2, Phillips et al. [J. Chem. Phys. 101, 5824 (1994)] excluded certain terms in the angular expansion they believed to vanish because of "the requirement that the potential is invariant to inversion of all coordinates through the origin." However, there has been some question in the literature as to whether these terms must, in fact, vanish owing to spatial inversion symmetry. By providing counterexamples, it is demonstrated that this is not required by fundamental spatial symmetry. However, these terms do appear to vanish for realistic molecular interactions and this symmetry may arise from the two-body nature of the electrostatic Hamiltonian.

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BibTeX Citation

@article{gr01000b,
  author={Green, S.},
  title={Comment on symmetry of the interaction between an asymmetric rigid rotor and a linear rigid rotor},
  year={1995},
  journal={J. Chem. Phys.},
  volume={103},
  pages={1035--1042},
  doi={10.1063/1.469813},
}

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RIS Citation

TY  - JOUR
ID  - gr01000b
AU  - Green, S.
PY  - 1995
TI  - Comment on symmetry of the interaction between an asymmetric rigid rotor and a linear rigid rotor
JA  - J. Chem. Phys.
VL  - 103
SP  - 1035
EP  - 1042
DO  - 10.1063/1.469813
ER  -

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