The static hypermagnetizability anisotropies of NT2, CO, CO2, N2O, OCS and CS2 are computed using density functional theory (DFT). Also, the anisotropy of the electric dipole polarizability at a wavelength of 632.8 nm and that of the magnetizability are obtained. We can thus compare the temperature dependence of the Cotton-Mouton constant for all six molecules to the results of previous ab initio studies and to those of the experimental study by Kling and Huttner [Chem. Phys. Lett. 90 (1984) 207]. The agreement is satisfactory.

The Cotton-Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a Density Functional approach to high-order mixed electric and magnetic properties

CAPPELLI, Chiara;
2001

Abstract

The static hypermagnetizability anisotropies of NT2, CO, CO2, N2O, OCS and CS2 are computed using density functional theory (DFT). Also, the anisotropy of the electric dipole polarizability at a wavelength of 632.8 nm and that of the magnetizability are obtained. We can thus compare the temperature dependence of the Cotton-Mouton constant for all six molecules to the results of previous ab initio studies and to those of the experimental study by Kling and Huttner [Chem. Phys. Lett. 90 (1984) 207]. The agreement is satisfactory.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/59348
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 16
  • ???jsp.display-item.citation.isi??? 16
  • OpenAlex ND
social impact