We have computed the static dipole polarizability, second hyperpolarizability, quadrupole polarizability and dipole-dipolequadrupole hyperpolarizability for the Ne atom, using large Gaussian basis sets and coupled cluster wavefunctions. Correlation effects are substantial, ranging from 15% for the d
Raman Spectra and polarizability of the neon diatom
β Scribed by Lothar Frommhold; Michael H. Proffitt
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 290 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
A priori calculations of the helium diatom polarizability are combined with an evaluation of the pair distribution function of gaseous helium to yield the second dielectric virial coefficient at 4 and 322Β°K. Order of magnitude agreement with experimental data is found, but the isotopic dependence at
The rotational Raman spectra of C2D,, C2HD, and CH,CD2 are presented with a resolution of ca 0.3 cm-'. A computer simulation has been carried out to reproduce the observed contours from literature values of the rotational constants. The molecular polarizability parameters are determined with ca 10%