Abstract
Löwdin emphasized the importance of the correct treatment of overlap between atomic functions in molecular and solid-state theoryl). He pioneered the rigorous handling of overlap in the famous calculations on ionic crystals2) and in molecular theory3). His name ig today attached to a symmetrical orthogonalization procedure1), and he has formulated and discussed the general problem of orthogonalization of a basis4,5). We find it appropriate to dedicate to him the following account of a very simple calculational method for molecular electronic structure determinations, particularly one electron spectra and properties, based on interatomic overlap.
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Linderberg, J., Öhrn, Y., Thulstrup, P.W. (1976). Energy Weighted Maximum Overlap (EWMO). In: Calais, JL., Goscinski, O., Linderberg, J., Öhrn, Y. (eds) Quantum Science. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-1659-7_7
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DOI: https://doi.org/10.1007/978-1-4757-1659-7_7
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