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The calculation of electric dipole moments from the polarization propagator. Theory and application
Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
- Jan Geertsen, Odense University
, - F. Jensen
- Gustavo E. Scuseria, University of Georgia
A method for computation of dipole moments from the polarization propagator is presented and applied to the HO molecule. Using extended basis sets it is shown that the coupled cluster singles doubles polarization propagator approximation (CCSDPPA) reproduces the experimental dipole moment to a high degree of accuracy
| Original language | English |
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| Journal | Journal of Chemical Physics |
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| Volume | 91 |
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| Issue | 1 |
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| Pages (from-to) | 364-367 |
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| Number of pages | 4 |
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| ISSN | 0021-9606 |
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| DOIs | |
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| Publication status | Published - 1989 |
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| Externally published | Yes |
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ID: 55286050