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; Mennucci, B.; Tomasi, J.; Cammi, R.; Rizzo, A.

doi:10.1016/S0009-2614(01)00932-0

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.

Titolo:	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
Autori:	CAPPELLI, Chiara B. MENNUCCI J. TOMASI R. CAMMI A. RIZZO mostra contributor esterni nascondi contributor esterni
Data di pubblicazione:	2001
Rivista:	CHEMICAL PHYSICS LETTERS
Digital Object Identifier (DOI):	http://dx.doi.org/10.1016/S0009-2614(01)00932-0
Handle:	http://hdl.handle.net/11384/59348
Appare nelle tipologie:	1.1 Articolo in rivista

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http://hdl.handle.net/11384/59348

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