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Analyticity of the density of electronic wavefunctions

✍ Scribed by Søren Fournais; Maria Hoffmann-Ostenhof; Thomas Hoffmann-Ostenhof; Thomas Østergaard Sørensen


Book ID
105572804
Publisher
Springer Netherlands
Year
2004
Tongue
English
Weight
738 KB
Volume
42
Category
Article
ISSN
0004-2080

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Topological partitioning of electron den
✍ David L. Cooper; Neil L. Allan 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 550 KB

The zero-flux surface criterion for partitioning the total molecular electron density is extended to deal with wavefunctions constructed directly from non-orthogonal orbitals. This topological analysis is used for total electron densities from spin-coupled wavefunctions to investigate the process of