Abstract
The molecular orbital (MO) is the most fundamental quantity in contemporary quantum chemistry. Almost all of our understanding of “what the electrons are doing in molecules” is based on the molecular orbital concept. Also most of the computational methods used today start by a calculation of the MO’s of the system.
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© 1992 Springer-Verlag Berlin Heidelberg
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Roos, B.O. (1992). The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory. In: Roos, B.O. (eds) Lecture Notes in Quantum Chemistry. Lecture Notes in Chemistry, vol 58. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58150-2_4
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DOI: https://doi.org/10.1007/978-3-642-58150-2_4
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-55371-7
Online ISBN: 978-3-642-58150-2
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