✦ LIBER ✦

Extremely localized molecular orbitals: theory and applications

✍ Scribed by Maurizio Sironi; Alessandro Genoni; Monica Civera; Stefano Pieraccini; Michela Ghitti

Book ID: 105885997
Publisher: Springer
Year: 2007
Tongue: English
Weight: 330 KB
Volume: 117
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-006-0200-7

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📜 SIMILAR VOLUMES

The transferability of extremely localiz

The transferability of extremely localized molecular orbitals

✍ M. Sironi; A. Famulari; M. Raimondi; S. Chiesa 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 208 KB

Determination of extremely localized mol

Determination of extremely localized molecular orbitals in the framework of density functional theory

✍ E. Burresi; M. Sironi 📂 Article 📅 2004 🏛 Springer 🌐 English ⚖ 307 KB

A novel approach to relax extremely loca

A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital–valence bond method

✍ A. Genoni; M. Sironi 📂 Article 📅 2004 🏛 Springer 🌐 English ⚖ 394 KB

Extremely localized molecular orbitals (

Extremely localized molecular orbitals (ELMO): a non-orthogonal Hartree-Fock method

✍ Marc Couty; Craig A. Bayse; Michael B. Hall 📂 Article 📅 1997 🏛 Springer 🌐 English ⚖ 712 KB

Localized equivalent and molecular orbit

Localized equivalent and molecular orbitals

✍ V. I. Nefedov 📂 Article 📅 1972 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 412 KB

Optimal virtual orbitals to relax wave f

Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals

✍ Alessandro Genoni; Arianna Fornili; Maurizio Sironi 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 182 KB

## Abstract Extremely localized molecular orbitals (ELMOs), namely orbitals strictly localized on molecular fragments, are easily transferable from one molecule to another one. Hence, they provide a natural way to set up the electronic structure of large molecules using a data base of orbitals obta