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Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide essential insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials 

The factorization method of Schrödinger shows us how to determine the energy eigenstates without needing to determine the wavefunctions in position or momentum space. A strategy to convert the energy eigenstates to wavefunctions is well known for the one-dimensional simple harmonic oscillator by employing the Rodrigues formula for the Hermite polynomials in position or momentum space. In this work, we illustrate how to generalize this approach in a representation-independent fashion to find the wavefunctions of other problems in quantum mechanics that can be solved by the factorization method. We examine three problems in detail: (i) the one-dimensional simple harmonic oscillator; (ii) the three-dimensional isotropic harmonic oscillator; and (iii) the three-dimensional Coulomb problem. This approach can be used in either undergraduate or graduate classes in quantum mechanics. 

The variational quantum eigensolver has been proposed as a low-depth quantum circuit that can be employed to examine strongly correlated systems on today’s noisy intermediate-scale quantum computers. We examine details associated with the factorized form of the unitary coupled-cluster variant of this algorithm. We apply it to a simple strongly correlated condensed-matter system with nontrivial behavior — the four-site Hubbard model at half-filling. This work show some of the subtle issues one needs to take into account when applying this algorithm in practice, especially to condensed-matter systems.