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Updated: Sep 4, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
One-to-one correspondence between thermal structure factors and coupling constants of general bilinear Hamiltonians
Bruno Murta1,2, J Fernández-Rossier1
1QuantaLab, International Iberian Nanotechnology Laboratory (INL), 4715-330 Braga, Portugal.
Abstract:
A theorem that establishes a one-to-one relation between zero-temperature static spin-spin correlators and coupling constants for a general class of quantum spin Hamiltonians bilinear in the spin operators has been recently established by Quintanilla, using an argument in the spirit of the Hohenberg-Kohn theorem in density functional theory. Quintanilla's theorem gives a firm theoretical foundation to quantum spin Hamiltonian learning using spin structure factors as input data. Here we extend the validity of the theorem in two directions. First, following the same approach as Mermin, the proof is extended to the case of finite-temperature spin structure factors, thus ensuring that the application of this theorem to experimental data is sound. Second, we note that this theorem applies to all types of Hamiltonians expressed as sums of bilinear operators, so that it can also relate the density-density correlators to the Coulomb matrix elements for interacting electrons in the lowest Landau level.
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