1.2k citations · 5.5k across the 46 of their papers we have counts for
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Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases
Mario Motta, Claudio Genovese, Fengjie Ma +14
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of ma…
Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory
Yang Gao, Qiming Sun, Jason M. Yu +5
We describe the ground- and excited-state electronic structure of bulk MnO and NiO, two prototypical correlated electron materials, using coupled cluster theory with single and dou…
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…
Aspects of isentropic trajectories in chiral effective models
Rainer Stiele, Wanda Maria Alberico, Andrea Beraudo +4
The evolution of the fireball in heavy ion collisions is an isentropic process, meaning that it follows a trajectory of constant entropy per baryon in the phase diagram of the stro…
Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure
Mario Motta, Shiwei Zhang, Garnet Kin-Lic Chan
We describe how to incorporate symmetries of the Hamiltonian into auxiliary-field quantum Monte Carlo calculations (AFQMC). Focusing on the case of Abelian symmetries, we show that…
Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
Dominic W. Berry, Craig Gidney, Mario Motta +2
Recent work has dramatically reduced the gate complexity required to quantum simulate chemistry by using linear combinations of unitaries based methods to exploit structure in the…