Quantum Chemistry, Magnetism and Lasers

Details Quantum Chemistry, Magnetism and Lasers Quantum Chemistry, Magnetism and Lasers

2007-03-23

arxiv.org/abs/cond-mat/0703601v1

Physics

Condensed Matter

Strongly Correlated Electrons

Paper submitted to Association of Greek Chemists (in greek)

Scientific paper

Using highly correlational quantum chemistry we compute from first principles
the contributions of the electric dipoles and quadupoles, and magnetic dipoles
to the nonlinear optics of NiO. The material is modeled as a doubly embedded
cluster and all magnetic intragap d-character states are calculated, thus
explaining the experimental results.

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