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The hypermagnetizability of molecular oxygen.

Authors :
Jonsson, Dan
Norman, Patrick
Vahtras, Olav
Agren, Hans
Rizzo, Antonio
Source :
Journal of Chemical Physics. 5/22/1997, Vol. 106 Issue 20, p8552. 12p. 8 Charts, 1 Graph.
Publication Year :
1997

Abstract

Focuses on the computation of the hypermagnetizability and the hypermagnetizability anisotropy of the oxygen molecule. Cubic response theory applied to multi-configurational self-consistent field wave functions; Effects of basis set, electron correlation, frequency dispersion, zero point vibrational averaging and pure vibrational contributions.

Details

Language :
English
ISSN :
00219606
Volume :
106
Issue :
20
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4222433
Full Text :
https://doi.org/10.1063/1.473910