25 citations
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physics.chem-ph2026
Seniority-zero Quadratic Canonical Transformation Theory
Daniel F. Calero-Osorio, Paul W. Ayers
We propose a method to solve the Schrödinger equation for systems with static/strong electron correlation using Hamiltonian transformations. Building on our previous work on senio…
physics.chem-ph2026★ 4 cited
Seniority-Zero Canonical Transformation Theory: Reducing Truncation Error with Late Truncation
Daniel F. Calero-Osorio, Paul W. Ayers
We show how to add the effects of residual electron correlation to a reference seniority-zero wavefunction by making a unitary transformation of the true electronic Hamiltonian int…
physics.chem-ph2026★ 2 cited
Seniority-zero Linear Canonical Transformation Theory
Daniel F. Calero-Osorio, Paul W. Ayers
We propose a method to solve the electronic Schrödinger equation for strongly correlated systems by applying a unitary transformation to reduce the complexity of the physical Hami…