𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Complex molecular orbitals approach to electron correlations in polymers

✍ Scribed by J. Hendeković

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
880 KB
Volume
9
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Colle-Salvetti-type correction for elect
Colle-Salvetti-type correction for electron–nucleus correlation in the nuclear orbital plus molecular orbital theory
✍ Yutaka Imamura; Hiroyoshi Kiryu; Hiromi Nakai 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 226 KB

## Abstract A Colle‐Salvetti (CS)‐type electron–nucleus correction in the nuclear orbital plus molecular orbital theory is proposed. The CS‐type correction is designed to satisfy the cusp condition for the electron–nucleus interaction. Since the CS‐type correction is expressed in terms of the elect

A perturbation molecular orbital approac
A perturbation molecular orbital approach to ionic solvation. A new multiparameter solvent correlation based on solvent ionization potentials and electron affinities.
✍ Ralph C. Dougherty 📂 Article 📅 1975 🏛 Elsevier Science 🌐 French ⚖ 217 KB

The recent appearance of several multiple parameter solvent correlations 2-4 praapted us to examine the potential of perturbation molecular orbital (PC401 theory as a guide to the properties of organic solvents. Solvent ion interactions must involve only second order and higher perturbations, otherw

Study of localized molecular orbitals us
Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. III. Orthogonal bonded functions
✍ Taijin Zhou 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 627 KB

using the group symmetrical localized molecular orbitals (SLhfOs) as configuration-generating orbitals (CGOs) of many-electron wave functions, the symmetry adaptation of many-electron spaces is greatly simplified, and novel orthogonal bonded functions (OBFs), as complete space-and spin-adapted antis

Molecular orbital approach to the Peierl
Molecular orbital approach to the Peierls instability in polyenes and its application to model crystals of charge-transfer complexes
✍ Yuriko Aoki; Tomofumi Tada; Akira Imamura 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 277 KB 👁 2 views

We have already proposed a convenient method to estimate the magnitude of the Peierls Ž . instability in finite one-and two-dimensional 1D and 2D polyenes from the viewpoint w Ž .x of orbital symmetry J. Chem. Phys., 103, 9726 1995 . This treatment is applied to a model system for charge-transfer co