27 citations · 90 across the 4 of their papers we have counts for
3 papers · 1 filter
Efficient Evaluation of Exact Exchange for Periodic Systems via Concentric Atomic Density Fitting
Xiao Wang, Cannada A. Lewis, Edward F. Valeev
The evaluation of exact (Hartree--Fock, HF) exchange operator is a crucial ingredient for the accurate description of electronic structure in periodic systems through ab initio and…
Optimized pair natural orbitals for the coupled cluster methods
Marjory C. Clement, Jinmei Zhang, Cannada A. Lewis +2
We present the coupled-cluster singles and doubles method formulated in terms of truncated pair-natural orbitals (PNO) that are optimized to minimize the effect of truncation. Comp…
Clustered Low-Rank Tensor Format: Introduction and Application to Fast Construction of Hartree-Fock Exchange
Cannada A. Lewis, Justus A. Calvin, Edward F. Valeev
Clustered Low Rank (CLR) framework for block-sparse and block-low-rank tensor representation and computation is described. The CLR framework depends on 2 parameters that control pr…