Vibronic instability of molecular config
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L. F. Chibotaru; F. Cimpoesu
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Article
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1997
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John Wiley and Sons
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English
β 187 KB
The traditional description of pseudo-JahnαTeller molecular configuration instability based on Bader's formula for the curvature of the adiabatic potential is reconsidered in order to make it consistent with straightforward calculations of the ground-state energy surface within HartreeαFockαRoothaan