123 citations · 175 across the 6 of their papers we have counts for
3 papers · 1 filter
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
Zhendong Li, Junhao Li, Nikesh S. Dattani +2
We report that a recent active space model of the nitrogenase FeMo cofactor, proposed in the context of quantum simulations, is not representative of the electronic structure of th…
An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces
Sheng Guo, Zhendong Li, Garnet Kin-Lic Chan
We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic i…
Matrix Product Operators, Matrix Product States, and ab initio Density Matrix Renormalization Group algorithms
Garnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani +2
Current descriptions of the ab initio DMRG algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a mor…