SPA<sup>H</sup>M: the spectrum of approximated Hamiltonian matrices representations
Alberto Fabrizio, Ksenia R. Briling, Clémence Corminbœuf
Abstract
M representations are particularly compact and efficient for kernel evaluation and their complexity is independent of the number of different atom types in the database.
Topics & Concepts
Hamiltonian (control theory)Mathematical physicsSpectrum (functional analysis)QuantumMathematicsPhysicsPure mathematicsQuantum mechanicsAlgebra over a fieldMathematical optimizationMachine Learning in Materials ScienceQuantum Computing Algorithms and ArchitectureQuantum many-body systems