The dielectric virial coefficient and model intermolecular potentials
The second dielectric virial coefficient for HCl has been computed over a range of temperatures using several model potentials, and a number of approximations have been tested. Several approximations made in earlier work are shown to lead to substantial errors in the computed dielectric virial coeff...
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| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/25916 |
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| Institution: | Mahidol University |
| Summary: | The second dielectric virial coefficient for HCl has been computed over a range of temperatures using several model potentials, and a number of approximations have been tested. Several approximations made in earlier work are shown to lead to substantial errors in the computed dielectric virial coefficient. The dielectric virial coefficient is a sensitive test of model potentials, but the calculations need to be carried out accurately. Values are predicted for water, carbon monoxide, HF, HCN and FCH3. |
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