✦ LIBER ✦

Long-range behavior of natural orbitals and electron density

✍ Scribed by Ahlrichs, Reinhart

Book ID: 121211733
Publisher: American Institute of Physics
Year: 1976
Tongue: English
Weight: 431 KB
Volume: 64
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.432491

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Orbital Interactions and Long-Range Elec

Orbital Interactions and Long-Range Electron Transfer

✍ Michael N. Paddon-Row 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 48 KB

Short-range behavior of some electron-pa

Short-range behavior of some electron-pair densities

✍ Toshikatsu Koga 📂 Article 📅 2012 🏛 Elsevier 🌐 English ⚖ 219 KB

Long-range–short-range separation of the

Long-range–short-range separation of the electron-electron interaction in density-functional theory

✍ Toulouse, Julien; Colonna, François; Savin, Andreas 📂 Article 📅 2004 🏛 The American Physical Society 🌐 English ⚖ 194 KB

Short- and long-range behavior of the in

Short- and long-range behavior of the inner and outer densities

✍ Toshikatsu Koga; Hisashi Matsuyama 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 250 KB

Long-range behavior of the off-diagonal

Long-range behavior of the off-diagonal Fock matrix elements of localized molecular orbitals

✍ János Pipek 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 470 KB

The behavior of the off-diagonal Fock matrix elements of Boys-localized Hartree-Fock orbitals is studied versus the spatial separation of the localized orbitals. A universal upper bound in terms of appropriately defined vicinity quantities was found, which shows that the largest Fock matrix elements

Long-range interaction of two 1s-hydroge

Long-range interaction of two 1s-hydrogen atoms expressed in terms of natural spin-orbitals

✍ Hirschfelder, J.O.; Löwdin, P.O. 📂 Article 📅 1965 🏛 Taylor and Francis Group 🌐 English ⚖ 216 KB