107 citations · 208 across the 8 of their papers we have counts for
4 papers · 1 filter
Coupled Cluster-Inspired Geminal Wavefunctions
Pratiksha B. Gaikwad, Taewon D. Kim, M. Richer +5
Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building bl…
Bivariational Principle for an Antisymmetrized Product of Nonorthogonal Geminals Appropriate for Strong Electron Correlation
Paul A. Johnson, Paul W. Ayers, Stijn De Baerdemacker +2
We develop a bivariational principle for an antisymmetric product of nonorthogonal geminals. Special cases reduce to the antisymmetric product of strongly-orthogonal geminals (APSG…
The seniority quantum number in Tensor Network States
Klaas Gunst, Dimitri Van Neck, Peter A. Limacher +1
We employ tensor network methods for the study of the seniority quantum number - defined as the number of unpaired electrons in a many-body wave function - in molecular systems. Se…
Richardson-Gaudin mean-field for strong correlation in quantum chemistry
P. A. Johnson, C. -É. Fecteau, F. Berthiaume +8
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction ansatz to model strong electron correlation in quantum chemistry. This…