量子化学与群论基础6复习课程.pptVIP

Quantum number;6.3 Many-electron atoms; ⑴ Independent particle model;Symmetric, Bosons ;⑶ Slater determinant; 4 Electron configurations; ⑶ Hund’s rule Electrons occupy the orbitals of a subshell singly until each orbital has one electron. ; ⑵ Atomic units; ⑶ The Schr?dinger equation of H2+ in a.u;① The estimated wave function ;② Expectation value of the energy〈E〉; LCAO-MO; ② The energy of H2+;All the integrals above can in principle be evaluated. We know the functions and the operator. We will just give them names:;The secular determinant; ③ Approximate wavefunction; ④ The integrals Sab, Haa