Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation
The quantum phase estimation algorithm stands as the primary method for determining the
ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this …
ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this …
Spin coupling is all you need: Encoding strong electron correlation on quantum computers
D Marti-Dafcik, HGA Burton, DP Tew - arXiv preprint arXiv:2404.18878, 2024 - arxiv.org
The performance of quantum algorithms for eigenvalue problems, such as computing
Hamiltonian spectra, depends strongly on the overlap of the initial wavefunction and the …
Hamiltonian spectra, depends strongly on the overlap of the initial wavefunction and the …
Geometrical Perspective on Spin-Lattice Density-Functional Theory
M Penz, R van Leeuwen - arXiv preprint arXiv:2407.20260, 2024 - arxiv.org
A recently developed viewpoint on the fundamentals of density-functional theory for finite
interacting spin-lattice systems that centers around the notion of degeneracy regions is …
interacting spin-lattice systems that centers around the notion of degeneracy regions is …