Title of article
Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2
Author/Authors
Rodrigues، نويسنده , , S.P.J. and Fontes، نويسنده , , A.C.G. and Li، نويسنده , , Y.Q. and Varandas، نويسنده , , A.J.C.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
6
From page
17
To page
22
Abstract
The single-sheeted double many-body expansion potential energy surface for the ground-state of NH2 is refined to attain near spectroscopic accuracy from a multiproperty fit to accurate ab initio energies and experimental vibrational levels, including the Renner–Teller effect for total angular momentum (excluding spin) of N = 0. Quasiclassical trajectory calculations on both the original and newly reported potential energy surfaces suggest that the dynamical properties of the original form remain essentially unaltered as aimed.
Journal title
Chemical Physics Letters
Serial Year
2011
Journal title
Chemical Physics Letters
Record number
1932182
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