𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the use of strictly localized orbitals for the description of σ bonds

✍ Scribed by Rudolf Polák

Publisher
Springer
Year
1969
Tongue
English
Weight
587 KB
Volume
14
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The application of strictly localized ge
The application of strictly localized geminals to the description of chemical bonds
✍ Raymond A. Poirier; Péter R. Surján 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 457 KB

A theory is developed in which closed-shell molecules are viewed as systems of weakly interacting chemical bonds. Composite-particle creation operators obtained by an appropriate quasiparticle transformation are used to create the wave function of two-electron bonds. These quasiparticles are bosons,

On the suitability of strictly localized
On the suitability of strictly localized orbitals for hybrid QM/MM calculations
✍ Arianna Fornili; Yohann Moreau; Maurizio Sironi; Xavier Assfeld 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 119 KB 👁 1 views

## Abstract In the QM/MM method we have developed (LSCF/MM), the QM and the MM parts are held together by means of strictly localized bonding orbitals (SLBOs). Generally these SLBOs are derived from localized bond orbitals (LBOs) that undergo tails deletion, resulting in a nonpredictable change of