CHEM 4502 Lecture Notes - Lecture 28: Quantum Number, Pauli Exclusion Principle, Slater-Type Orbital
Document Summary
Review - for systems w/ more than 1 electron, we can"t solve schrodinger eqn exactly (analytically) the 2 del terms account for electron kinetic energy. 2 inverse r terms account for electron-nuclear attraction r12 term counts for electron-electron repulsion --> this is the problem. Have already discussed 2 ways to get approximate solutions. Both methods can give pretty good results - match expt as well. Energy of he (in eh, atomic units, hartrees): Perturbation theory requires solvable similar reference problem (maybe unclear) Hartree-fock: gives us parameters to vary and we can presume 1 electron notion straightforward, systematic way. Hartree"s approach (w/ help from slater: let"s approx many-electron wavefunction as product of 1-body functions (or orbitals, electron-electron repulsion is hard. Let us approx electron-electron repulsion in only an average way. In other words, we gain simplicity at the cost of accuracy. He has 2 atoms (1s2) integrating gives us avg. If not, calculate veff again with new answer.
