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Journal of Chemical Theory and Computation|February 4, 2026
Seniority-Zero Canonical Transformation Theory: Error Reduction via Late TruncationDaniel F Calero-Osorio, Paul W AyersThe Journal of Chemical Physics|March 10, 2026
Seniority-zero linear canonical transformation theoryDaniel F Calero-Osorio, Paul W AyersThe Journal of Chemical Physics|October 13, 2025
Seniority-zero states are mean-field wavefunctionsMarco Martínez González, Daniel F Calero-Osorio, Michelle Richer, et al.Journal of Molecular Modeling|October 23, 2012
The density per particle can be used as the fundamental descriptor for systems with rapidly decaying external potentialsPaul W AyersThe Journal of Chemical Physics|January 26, 2024
Energy is not a convex function of particle number for r-k interparticle potentials with k > log34Paul W AyersPhysical Chemistry Chemical Physics : PCCP|July 21, 2006
Can one oxidize an atom by reducing the molecule that contains it?Paul W AyersFaraday Discussions|March 3, 2007
The physical basis of the hard/soft acid/base principlePaul W AyersThe Journal of Chemical Physics|April 26, 2005
An elementary derivation of the hard/soft-acid/base principlePaul W AyersJournal of Chemical Theory and Computation|November 18, 2015
Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital GeminalsKatharina Boguslawski, Paul W AyersPhysical Chemistry Chemical Physics : PCCP|July 13, 2013
How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energiesCarlos Cárdenas, Paul W AyersPageof 22