390 citations · 1.8k across the 24 of their papers we have counts for
24 papers
Chemistry of the spin-1/2 kagome Heisenberg antiferromagnet
Yuan Yao, C. J. Umrigar, Veit Elser
We believe that a necessary first step in understanding the ground state properties of the spin- kagome Heisenberg antiferromagnet is a better understand…
Accurate many-body electronic structure near the basis set limit: application to the chromium dimer
Junhao Li, Yuan Yao, Adam A. Holmes +4
We describe a method for computing near-exact energies for correlated systems with large Hilbert spaces. The method efficiently identifies the most important basis states (Slater d…
Fast Semistochastic Heat-Bath Configuration Interaction
Junhao Li, Matt Otten, Adam A Holmes +2
This paper presents in detail our fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrodinger equation. We identify and eliminate co…
Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction
Alan D. Chien, Adam A. Holmes, Matthew Otten +3
The electronically excited states of methylene (CH), ethylene (CH), butadiene (CH), hexatriene (CH), and ozone (O) have long proven challenging due…
Semistochastic Heat-bath Configuration Interaction method: selected configuration interaction with semistochastic perturbation theory
Sandeep Sharma, Adam Holmes, Guillaume Jeanmairet +2
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic…
Efficient heat-bath sampling in Fock space
Adam Holmes, Hitesh J. Changlani, C. J. Umrigar
We introduce an algorithm for sampling many-body quantum states in Fock space. The algorithm efficiently samples states with probability approximately proportional to an arbitrary…