A relativistic effective core potential
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Giuseppe Lanza; Ignazio L. FragalΓ
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Article
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1996
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Elsevier Science
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English
β 467 KB
The equilibrium geometries and harmonic vibrational frequencies of some lanthanide trihalides LnX 3 (Ln ~ Gd, Lu; X -= F, CI) have been investigated using ab initio relativistic effective core potential Hartree-Fock, complete active space multiconfigurationai self-consistent field and second-order M