Magnetic susceptibility of the BH molecule |
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| Authors: | Jaszuński Micha? |
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| Institution: | (1) Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, Warsaw 42, Poland |
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| Abstract: | The coupled Hartree-Fock (CHF) perturbation approach and its extension to multiconfiguration wavefunctions (MC CHF scheme)
were used to calculate the magnetic susceptibility of the BH molecule. The results obtained for an SCF and two pair-excitation
MC SCF functions confirm the paramagnetism of the BH molecule and indicate a rather weak dependence of the computed molecular
susceptibility on the correlation effects.
Sponsored by the Institute of Low Temperatures and Structure Research, Polish Academy of Sciences. |
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| Keywords: | BH magnetic susceptibility of ∼ |
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