Abstract
An accurate description of the electronic structure of a molecule needs to take into account the correlation energy, which is defined as the difference between the exact energy and the Hartree-Fock (HF) energy. The choice of the method applied to calculate the correlation energy depends on the nature of the correlation.
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© 2016 Springer Fachmedien Wiesbaden
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Stein, C.J. (2016). Theoretical methods. In: Highly Accurate Spectroscopic Parameters from Ab Initio Calculations. BestMasters. Springer Spektrum, Wiesbaden. https://doi.org/10.1007/978-3-658-14830-0_2
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DOI: https://doi.org/10.1007/978-3-658-14830-0_2
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Publisher Name: Springer Spektrum, Wiesbaden
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Online ISBN: 978-3-658-14830-0
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