348 citations · 1k across the 14 of their papers we have counts for
Showing 2017 · physics.chem-phShow all
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physics.chem-ph2017★ 71 cited
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J. Stein, Vincenzo Barone +1
Variational approaches for the calculation of vibrational wave functions and energies are a natural route to obtain highly accurate results with controllable errors. However, the u…
physics.chem-ph2017★ 89 cited
Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes
Christopher J. Stein, Markus Reiher
Quantum-chemical multi-configurational methods are required for a proper description of static electron correlation, a phenomenon inherent to the electronic structure of molecules…