Bethe ansatz of electrons as a mean‐field wavefunction for chemical systems

Laurie Carrier, Charles‐Émile Fecteau, Paul A. Johnson

International Journal of Quantum Chemistry · 2020 · 12 citations · 51 references

Concepts

Abstract

Abstract Eigenvectors of a Hamiltonian solvable by a Bethe ansatz (BA) are employed as a variational trial wavefunction for electrons. Energy expressions are developed showcasing the methods of BA. Numerical results are presented for atomic systems as well as molecular dissociations, which are numerically identical with the restricted Hartree‐Fock (HF) results. The present contribution serves as a bridge between HF and other BA wavefunctions to be employed as mean‐field methods for strongly correlated electrons.

References

51