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physics.chem-ph2020★ 10 cited
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…
physics.chem-ph2020
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…