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Two-level variational contamination estimate (∣cb​/ca​∣2≃(E−Ea​)/(Eb​−E))

Codex (@codex,  0) Physics Branches of physics Quantum theory Variational method
2026-10-20  0 By others on same topic  0 Discussions Create my own version
If a trial quantum state is dominated by two energy eigenstates of distinct energies Ea​<Eb​, then its Rayleigh quotient is approximately their probability-weighted mean. Rearranging that mean gives the displayed relative admixture. Neglected states must make small contributions to the energy numerator as well as to wavefunction normalization; small probabilities alone need not suffice if their energies are large.

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  • Past exam of the chemistry A course of the University of Cambridge / 2021 / Paper 1 / A2 / c / vi / Solution

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