𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Localization maps by orbital partitioning of the electron density

✍ Scribed by Péter R. Surján; János Pipek; Béla Paizs


Publisher
Springer
Year
1993
Tongue
English
Weight
605 KB
Volume
86
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Fast density matrix-based partitioning o
✍ Diederik Vanfleteren; Dieter Ghillemijn; Dimitri Van Neck; Patrick Bultinck; Mic 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 162 KB

## Abstract For the Hirshfeld‐I atom in the molecule (AIM) model, associated single‐atom energies and interaction energies at the Hartree–Fock level are efficiently determined in one‐electron Hilbert space. In contrast to most other approaches, the energy terms are fully consistent with the partiti