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Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Oumarou Oumarou, Maximilian Scheurer, Robert M. Parrish +2
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulati…
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
Edward G. Hohenstein, Oumarou Oumarou, Rachael Al-Saadon +4
Efficient representations of the Hamiltonian such as double factorization drastically reduce circuit depth or number of repetitions in error corrected and noisy intermediate scale…
Magnetic circular dichroism within the Algebraic Diagrammatic Construction scheme of the polarisation propagator up to third order
Daniil A. Fedotov, Mikael Scott, Maximilian Scheurer +3
We present an implementation of the B term of Magnetic Circular Dichroism within the Algebraic Diagrammatic Construction (ADC) scheme of the polarization propagator and its Interme…