RENNER TELLER STATES IN THE $NH_{2}$ MOLECULE
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Date
1971
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Publisher
Ohio State University
Abstract
A classic example of the Renner-Teller effect is the $NH_{2}$ molecule. As the doubly degenerate $^{2}\Pi$ state is bent, two states, $^{2}B_{1}$ and $^{2}A_{1}$ appear. Unlike many molecules, both states have minimums in the bent geometry. The geometries of these states have been determined by ab initio methods which far exceed the accuracy attained by traditional Roothaan Self Consistent Field (SCF) calculations. Potential surfaces as well as many one-electron molecular properties will be presented.
Description
This work was performed under the auspices of the U. S. Atomic Energy Commission.
Author Institution: Lawrence Radiation Laboratory
Author Institution: Lawrence Radiation Laboratory