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Gaussian Calculation
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创建时间：
2017-11-27
相关数据集
Planar Tetracoordinated Silicon (ptSi): Room-Temperature Stable Compounds Containing Anti-van’t Hoff/Le Bel Silicon
While a variety of compounds containing planar tetracoordinated carbon (ptC), the so-called anti-van’t Hoff/Le Bel carbon, are known experimentally, stable systems containing planar tetracoordinated s
Figshare2020-12-21 更新70
Neutral acid fragment, CCSD/Def2-SVPP, G = -189.094367
Gaussian 16 (C01) calculation
DataCite Commons2023-02-22 更新40
Diagrammatic Simplification of Linearized Coupled Cluster Theory
Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quadratic T̂22 terms tha
Figshare2025-06-26 更新30
A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications rang
Figshare40
