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Density Functionals

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Cover of 'Density Functionals'

Table of Contents

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    Book Overview
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    Chapter 543 Accurate Thermochemistry for Large Molecules with Modern Density Functionals.
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    Chapter 555 Density Functional Theory Beyond the Generalized Gradient Approximation for Surface Chemistry.
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    Chapter 557 Ring and Exchange-Ring Approximations Based on Kohn-Sham Reference States.
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    Chapter 581 Fractional Kohn-Sham Occupancies from a Strong-Correlation Density Functional.
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    Chapter 600 Judging Density-Functional Approximations: Some Pitfalls of Statistics.
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    Chapter 619 Non-analytic Spin-Density Functionals.
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    Chapter 625 Short-Range Cut-Off of the Summed-Up van der Waals Series: Rare-Gas Dimers.
Attention for Chapter 581: Fractional Kohn-Sham Occupancies from a Strong-Correlation Density Functional.
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