107 citations · 208 across the 8 of their papers we have counts for
8 papers
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…
Quantum Computing Techniques for Multi-Knapsack Problems
Abhishek Awasthi, Francesco Bär, Joseph Doetsch +16
Optimization problems are ubiquitous in various industrial settings, and multi-knapsack optimization is one recurrent task faced daily by several industries. The advent of quantum…
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…
Projected seniority-two orbital optimization of the Antisymmetric Product of one-reference orbital Geminal
Katharina Boguslawski, Paweł Tecmer, Peter A. Limacher +5
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observa…
Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations
Sebastian Wouters, Peter A. Limacher, Dimitri Van Neck +1
We have implemented the sweep algorithm for the variational optimization of SU(2) x U(1) (spin and particle number) invariant matrix product states (MPS) for general spin and parti…
High-accuracy ab-initio quantum chemistry by means of an SU(2) x U(1) invariant matrix product state Ansatz: the static second hyperpolarizability
Sebastian Wouters, Peter A. Limacher, Dimitri Van Neck +1
We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix…