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Investigation of electric-field-gradient-induced birefringence in H2 and D2
| Content Provider | Springer Nature Link |
|---|---|
| Author | Buckingham, A. D. Coriani, Sonia Rizzo, Antonio |
| Copyright Year | 2007 |
| Abstract | An ab initio computational investigation of the electric–field–gradient–induced birefringence in H2 and D2 is presented. The quadrupole moment and all linear and non-linear optical properties contributing to the induced anisotropy of the refractive index are computed by means of Coupled Cluster Singles and Doubles response theory. The latter leads for these systems to Full Configuration Interaction results. Vibrational averaging, centrifugal distortion due to rotation, isotope effects and differences between ortho and para species are also considered. |
| Starting Page | 969 |
| Ending Page | 977 |
| Page Count | 9 |
| File Format | |
| ISSN | 1432881X |
| Journal | Theoretical Chemistry Accounts |
| Volume Number | 117 |
| Issue Number | 5-6 |
| e-ISSN | 14322234 |
| Language | English |
| Publisher | Springer-Verlag |
| Publisher Date | 2007-01-10 |
| Publisher Place | Berlin, Heidelberg |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Ab initio calculation Coupled Cluster response theory Electric–field–gradient–induced birefringence Quadrupole moment Ortho and para-hydrogen Ortho and para-deuterium Physical Chemistry Organic Chemistry Inorganic Chemistry Theoretical and Computational Chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physical and Theoretical Chemistry |
