Foundations of Molecular Orbital Theory

Although a separation of electronic and nuclear motion provides an important simplification and appealing qualitative model for chemistry, the electronic Sclirodinger equation is still fomiidable. Efforts to solve it approximately and apply these solutions to the study of spectroscopy, stmcture and chemical reactions fonn the subject of what is usually called electronic structure theory or quantum chemistry. The starting point for most calculations and the foundation of molecular orbital theory is the independent-particle approximation. 

Hall, G. G. 1991. The Lennard-Jones paper of 1929 and the foundations of molecular orbital theory. Advances in Quantum Chemistry 22 1-6. 

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