Abstract
Since the Schrödinger equation cannot be solved exactly for polyelectronic systems, one has to look for approximate solutions of any desired accuracy. One way is the use of the variation method [1]. The Eckart theorem shows that any trial wavefunction ξ (which is normalizable) leads to a value of the energy ε which is never lower than the true ground state energy E of the system
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Veillard, A. (1975). The Logic of SCF Procedures. 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_3
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