M?ller-Plesset Theory calculates their Hamiltonian as the sum of their Hartree-Fock operators and a perturbation, while for simple substances correcting for deviations from the Born-Oppenheimer approx
M?ller-Plesset Theory calculates their Hamiltonian as the sum of their Hartree-Fock operators and a perturbation, while for simple substances correcting for deviations from the Born-Oppenheimer approximation yields an accurate wave-function. Same-spin electrons within them experience the Pauli repulsion, and the magnetic nature of a substance may be determined via bond order, or half the difference in the number of their bonding and antibonding electrons, which are placed in separate energy levels in accordance with Hund's Rules. FTP, what are these orbitals in which motion of electrons about two or more nuclei are described, the namesake of a theory of bonding?
M?ller-Plesset Theory calculates their Hamiltonian as the sum of their Hartree-Fock operators and a perturbation, while for simple substances correcting for deviations from the Born-Oppenheimer approximation yields an accurate wave-function.
molecular orbitals (prompt on "orbitals")