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physics.chem-ph2026
SOPPA with the Complete Third-Order A Matrix: Singlet Excitation Energies
Lina Krarup Knudsen, Annika Weisberg Eenholt, Simone Leigh Engell Robinson +5
We present the derivation and implementation of the complete third-order correction of the A matrix in the Møller-Plesset polarization propagator approximation. A new contribution…
quant-ph2026
Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials
Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev +9
Resonant inelastic X-ray scattering (RIXS) is the workhorse experimental technique for probing the structural degradation of higher-capacity cathode materials. However, the interpr…