Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2

Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2

State-of-the-art molecular quantum chemical techniques have been applied to the solid-state compound Li2CuO2 in order to derive accurate estimates of the in-chain magnetic interactions. In the present work, the magnitude of the nearest neighbour and next nearest neighbour magnetic coupling constants...

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Bibliographic Details
Main Authors: F. Illas, I. de P. R. Moreira, C. de Graaf
Format: Article
Language:English
Published: MDPI AG 2000-08-01
Series:International Journal of Molecular Sciences
Subjects:
magnetic interactions
cluster model approach
difference dedicated CI
CASPT2
Li2CuO2
Online Access:http://www.mdpi.com/1422-0067/1/3/28/

Internet

http://www.mdpi.com/1422-0067/1/3/28/

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