most citedEarth Mover's Distance as a metric to evaluate the extent of charge transfer in excitations using discretized real-space densities

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

physics.chem-ph2023★ 1 cited

Earth Mover's Distance as a metric to evaluate the extent of charge transfer in excitations using discretized real-space densities

Zhe Wang, Jiashu Liang, Martin Head-Gordon

This paper presents a novel theoretical measure, , based on the Earth Mover's Distance, for quantifying the density shift caused by electronic excitations in molecu…

physics.chem-ph2022

Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets

Jiashu Liang, Zhe Wang, Jie Li +5

This paper presents a systematic study of applying composite method approximations with locally dense basis sets (LDBS) to efficiently calculate NMR shielding constants in small an…