Abstract
It is desirable to obtain highly accurate solutions to the Schrodinger equation
Where
Here we are working in atomic units, and the Born-Oppenheimer [1] approximation has been used to separate the motion of the nuclei from that of the electrons. I, J denote nuclei; i, j denote electrons and
denotes the distance between nucleus I and electron i. In addition to equation (1), the wavefunction
must obey the Pauli Principle
Where
permutes the coordinates of electrons i and j.
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© 1975 D. Reidel Publishing Company, Dordrecht-Holland
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Handy, N.C. (1975). Correlated Wavefunctions. In: Diercksen, G.H.F., Sutcliffe, B.T., Veillard, A. (eds) Computational Techniques in Quantum Chemistry and Molecular Physics. NATO Advanced Study Institutes Series, vol 15. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-1815-9_7
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