The hypermagnetizability of molecular oxygen

Jonsson, Dan; Norman, Patrick; Vahtras, Olav; Agren, Hans; Rizzo, Antonio
May 1997
Journal of Chemical Physics;5/22/1997, Vol. 106 Issue 20, p8552
Academic Journal
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.


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