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cond-mat.str-el2021★ 16 cited
Benchmark study of Nagaoka ferromagnetism by spin-adapted full configuration interaction quantum Monte Carlo
Sujun Yun, Werner Dobrautz, Hongjun Luo +1
We investigate Nagaoka ferromagnetism in the two-dimensional Hubbard model with one hole using the spin-adapted ( conserving) full configuration interaction quantum Monte Ca…
cond-mat.str-el2021★ 42 cited
Towards efficient and accurate \emph{ab initio} solutions to periodic systems via transcorrelation and coupled cluster theory
Ke Liao, Thomas Schraivogel, Hongjun Luo +2
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis se…