301 citations · 1.1k across the 10 of their papers we have counts for
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Gaussian-based coupled-cluster theory for the ground state and band structure of solids
James McClain, Qiming Sun, Garnet Kin-Lic Chan +1
We present the results of Gaussian-based ground-state and excited-state equation-of-motion coupled-cluster theory with single and double excitations for three-dimensional solids. W…
Quantum embedding theories
Qiming Sun, Garnet Kin-Lic Chan
In complex systems, it is often the case that the region of interest forms only one part of a much larger system. The idea of joining two different quantum simulations - a high lev…
Automated construction of molecular active spaces from atomic valence orbitals
Elvira R. Sayfutyarova, Qiming Sun, Garnet K. -L. Chan +1
We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multi-configuration and multire…