1.Previous
3.Next

and Coulomb integrals of these atomic orbitals. It does not attempt to solve the Schrödinger equation, and neither the functional form of the basis atomic orbitals nor details of the Hamiltonian are involved.
* For hydrocarbons, the method takes atomic connectivity as the only input; empirical parameters are only needed when heteroatoms are introduced.
* The method predicts how many energy levels exist for a given molecule,

1.Previous
3.Next