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 ,
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.