chem8950
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chem8950 – 1.
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chem8950 – 1.
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chem8950 – Derive the recursive equation for the wavefunction, starting from the λ-dependent Schr¨odinger equation. (Solution)
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chem8950 – Give an example of each of the following. (Solution)
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chem8950 – In solving the canonical Hartree-Fock equations, it is common to use eigenfunctions of the core Hamiltonian as starting guesses for the canonical molecular orbitals. This eigenvalue equation looks as follows (Solution)
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chem8950 – Question 1a (0.5 pts). Write down the CID Schr¨odinger equation. (Solution)
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chem8950 – Question 1a (9 pts). Starting from: (Solution)
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chem8950 – Question 2. Explain the difference between the quantum mechanical operator Hˆ and the algebraic operator Hˆ in one sentence. (Solution)
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chem8950 – Quiz 1 (Solution)
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chem8950 – Translate the following expression from KM notation into our original notation, using daggers to denote creation operators and lines to denote contractions. (Solution)
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