物理化学学报2018，Vol.34Issue(5)：514-518,5.DOI:10.3866/PKU.WHXB201710101
Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms
Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms
摘要
关键词
Hirshfeld partitioning/Stockholder atoms in molecules/Nonspherical proatoms/Information theory/Degenerate ground states/Promoted atomic reference states, Electron density/Conceptual density functional theoryKey words
Hirshfeld partitioning/Stockholder atoms in molecules/Nonspherical proatoms/Information theory/Degenerate ground states/Promoted atomic reference states, Electron density/Conceptual density functional theory引用本文复制引用
HEIDAR-ZADEH Farnaz,AYERS Paul W...Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms[J].物理化学学报,2018,34(5):514-518,5.基金项目
The project was supported by NSERC,Compute Canada,and the Canada Research Chairs. （）
