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Hartree-Fock vs DFT
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in: Hartree-Fock versus DFT
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- 2 months, 1 week ago
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XC-functional: Jacob’s ladder
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Kohn-Sham Equations
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2nd HK Theorem
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The Born-Oppenheimer approximation
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The Schrodinger Equation Q2
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The Schrodinger Equation Q1
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Functions and Functionals
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Hardware 1
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Theory vs Computation
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Advantages Q3
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Advantages Q2
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Advantages Q1
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So what’s the Problem?
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Solids as Quantum Systems
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- 2 months, 2 weeks ago
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Hartree-Fock vs DFT