Relativistic effects on the electronic s
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S. R. Nogueira; Diana Guenzburger
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Article
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1996
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John Wiley and Sons
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English
โ 637 KB
## m Four-component relativistic and nonrelativistic molecular orbital calculations were performed for the covalent paramagnetic complex [ II(CN>,]~-, employing the selfconsistent discrete variational method, in the framework of density functional theory. Relativistic effects on the electronic str