Abstract
The fitting strategies do not have any consideration about symmetry factors and provides a full description of continuity over the entire region, from the ground state of CH2 to the ground states of three separate atoms. From ab initio results, the bond lengths can be divided into three approximate ranges: near the equilibrium bond length, medium range, and very long distance from the equilibrium. Thus, there were six combinations considering the relative energy with respect to the bond angle. Each region have its own properties.
Original language | English |
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Pages (from-to) | 582-594 |
Number of pages | 13 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 2 |
DOIs | |
State | Published - 8 Jan 2003 |