activity
20162026
most citedHybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States

526 citations · 1.2k across the 25 of their papers we have counts for

collaborators
Showing 2017Show all

1 paper · 1 filter

physics.chem-ph2017★ 181 cited

Pushing Configuration-Interaction to the Limit: Towards Massively Parallel MCSCF Calculations

Konstantinos D. Vogiatzis, Dongxia Ma, Jeppe Olsen +2

A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized ac…