Author/Authors :
Toffolo، نويسنده , , Francesco and Tommasini، نويسنده , , Matteo and Zoppo، نويسنده , , Mirella Del and Zerbi، نويسنده , , Giuseppe، نويسنده ,
Abstract :
The effects on the vibrational spectra of placing a H2 molecule into an electrostatic field are theoretically investigated. The field-induced infrared absorption is computed and the variation of the vibrational frequency is accounted for by studying the changes of the potential energy surface upon the action of the field. A simple model relating the field-induced infrared absorption to the charge displacement between the atoms of the H2 molecule is proposed.
