Chemistry
Frozen-Core Spin-Component-Scaled RMP2 Analytic Nuclear Gradient
# Frozen-Core Spin-Component-Scaled RMP2 Analytic Nuclear Gradient
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Chemistry
# Frozen-Core Spin-Component-Scaled RMP2 Analytic Nuclear Gradient
Physics
Calculate the final logical-state fidelity and certify CPTP/normalization invariants for a coupled universal-quantum-computing model that combines (i) a sequential adversary interaction (QTM/MPS-style) encoding stage with explicit decoupling, and (ii) a geometrically local Hamiltonian (QCA-style) logical-gate stage implemented by first-order Lie–Trotter product evolution, and (iii) a Feynman–Kitaev clock-history Hamiltonian (FKCH) constraint enforced self-consistently.
Mathematics
Calculate the sketched block-GMRES approximation of a stiff Chebyshev-Lobatto collocation linear system while certifying the coupled QR, Krylov, and residual invariants of the randomized block basis.
Biology
Analyze the mini-ultimatum game with information under replicator dynamics. The four strategies are indexed
Material Science
Compute the band structure of the (001) LaAlO_3/SrTiO_3 two-dimensional electron gas along a specified k-path, then build the corresponding scaled real-space tight-binding Hamiltonian on a finite periodic lattice and verify that both representations yield identical low-energy spectra at scaling factor s=1.
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