It also enables a discussion of the bonding in the system in terms of bond orders and atomic orbital contributions to a given bond. |
The scheme for atomic orbital radii is further generalized by chemical descriptors in the frame of density functional theory. |
Thus, the planetary model of the atom was discarded in favor of one that described atomic orbital zones around the nucleus where a given electron is most likely to be observed. |
Each atomic orbital has a characteristic shape and energy and occupies a characteristic volume of space, which is predicted by the Schrodinger equation. |
It can be an electric current in a conductor or charged particles moving through space, or it can be the motion of an electron in an atomic orbital. |
The PDOSs of nitrogen atoms and their p orbitals for complex E have also been displayed in Fig. 15, indicating a high overlap between the PDOS of nitrogen atom with p1 atomic orbital compared to the other orbitals. |