✦ LIBER ✦

Noncanonical localized orbitals and chemisorption

✍ Scribed by H. Keith McDowell

Book ID: 104191459
Publisher: Elsevier Science
Year: 1982
Weight: 59 KB
Volume: 121
Category: Article
ISSN: 0167-2584
DOI: 10.1016/0167-2584(82)90642-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Noncanonical localized orbitals and chem

Noncanonical localized orbitals and chemisorption

✍ H.Keith McDowell 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 801 KB

A localized spin-orbital theory of chemi

A localized spin-orbital theory of chemisorption

✍ D.E. Parry; M.A. Whitehead 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 289 KB

Optimum hybrid orbitals in localized orb

Optimum hybrid orbitals in localized orbitals

✍ Rudolf Polák 📂 Article 📅 1970 🏛 John Wiley and Sons 🌐 English ⚖ 577 KB

## Abstract Using the criterion for maximizing the projection of localized bond orbitals onto the space spanned by the occupied MO's, a method for constructing hybrid orbitals of a molecule is described. For illustration purposes the method is applied to single‐determinant closed shell wave functio

Localized equivalent and molecular orbit

Localized equivalent and molecular orbitals

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

Localized Atomic and Molecular Orbitals

✍ Edmiston, Clyde; Ruedenberg, Klaus 📂 Article 📅 1963 🏛 The American Physical Society 🌐 English ⚖ 810 KB

Use of noncanonical orbitals in many-bod

Use of noncanonical orbitals in many-body perturbation theory

✍ Keith McDowell 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 441 KB

## Abstract A formalism for dealing with noncanonical Hartree–Fock spin orbitals is presented within the framework of many‐body perturbation theory. A test calculation on the planar methyl radical is carried out which displays certain features of open‐shell calculations and which demonstrates the v