5 citations · 5 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2023★ 23 cited
Linear-scaling local natural orbital CCSD(T) approach for open-shell systems: algorithm, benchmarks, and large-scale applications
P. Bernát Szabó, József Csóka, Mihály Kállay +1
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency…
physics.chem-ph2014★ 5 cited
Tree tensor network state study of the ionic-neutral curve crossing of LiF
V. Murg, F. Verstraete, R. Schneider +2
We present a tree-tensor-network-state (TTNS) method study of the ionic-neutral curve crossing of LiF. For this ansatz, the long-range correlation deviates from the mean-field valu…