The neighbouring molecules are weakly coupled, which implies that electrons can tunnel between them, but there is no significant hybridization of the different molecular orbitals. This type of ...

Volume Resistivity,Atomic Orbitals,Bond Valence,Energy Levels,Epoxy Matrix,Chlorine Atom,Electron Cloud Density,Electron Energy,Electron Orbitals,High Voltage,Trap ...

In particular, the DNN-based Hohenberg-Kohn map serves as a physical, external potential constraint on ψ (i.e., the Kohn-Sham molecular orbitals) in learning the energy functional E = F[ψ] based on ...

Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China School of Chemistry and Materials Science, University ...

Electron Orbitals,Fourier Transform Infrared,High-speed Camera,Insulation Performance,LUMO Energy Levels,LUMO Levels,Molecular Chains,Molecular Orbital Energy Levels,Molecular Orbitals,Molecular ...