3 papers
physics.chem-ph2018
Non-Orthogonal Multi-Slater Determinant Expansions in Auxiliary Field Quantum Monte Carlo
Edgar Josué Landinez Borda, John A. Gomez, Miguel A. Morales
The Auxiliary-Field Quantum Monte Carlo (AFQMC) algorithm is a powerful quantum many-body method that can be used successfully as an alternative to standard quantum chemistry appro…
physics.comp-ph2017
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan +18
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and…
physics.chem-ph2017
Attenuated Coupled Cluster: A Heuristic Polynomial Similarity Transformation Incorporating Spin Symmetry Projection Into Traditional Coupled Cluster Theory
John A. Gomez, Thomas M. Henderson, Gustavo E. Scuseria
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unres…