Article ID Journal Published Year Pages File Type
5384113 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► DMBE potential energy surface of NH2 refined to near spectroscopic accuracy. ► Nontrivial procedure: multiproperty fit of ab initio points and frequencies. ► Scheme includes Renner-Teller effect for total angular momentum N = 0. ► PES essentially unaltered: errors in ab initio energies corrected by direct fitting.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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