Titlebook: Computational Chemistry; Introduction to the Errol G. Lewars Textbook 2024Latest edition The Editor(s) (if applicable) and The Author(s),

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Luis M. Bergasa,Manuel Oca?a,Pedro Revengaetermined by its electron density function, and that a trial electron density must give an energy greater than or equal to the true energy (the latter theorem is true only if the exact functional could be used). In the Kohn-Sham approach the energy of a system is formulated as a deviation from the e

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https://doi.org/10.1007/978-3-319-94484-5ion. For introducing the effects of solvation there are two methodologies (and hybrids of these two): microsolvation or explicit solvation, and continuum solvation..Some molecular species are not calculated properly by straightforward model chemistries: these include singlet diradicals and some exci

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,The Cholette-Dagum Regression-Based Benchmarking Method — The Additive Model,

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Maxim Bravermangepr?gt. Die Bilanzierenden waren bemüht, eine m?glichst weitgehende übereinstimmung handels- und steuerrechtlicher Gewinnermittlung mit der sog. Einheitsbilanz zu erreichen. War das nicht m?glich – und das ist heute der Regelfall – dann musste der steuerliche Gewinn nach § 60 Abs. 2 EStDV durch ein

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