Ioan B?ldeaand Horst K?ppel Author
Subjects of specialization
Affiliation
Nanoscience, Nanotubes, Nanomaterials, Nanotechnology, Nanoparticles.
Theoretische Chemie, Universit
From Quantum-Dot Nanorings to Polyacetylene via Small Annulenes: A Full Configuration Interaction Description Based on an Extended Hubbard'Su-Schrieffer-Heeger Model is one of the main publications of Ioan Bāldea.
Research Article Subscription
Author(s): Ioan B?ldeaand Horst K?ppel
From Quantum-Dot Nanorings to Polyacetylene via Small Annulenes: A Full Configuration Interaction Description Based on an Extended Hubbard–Su-Schrieffer-Heeger Model
Quantum chemical approaches to molecules — like the annulenes (cyclic polyenes CNHN, where N is an integer) considered here — usually examine the impact of electron-electron interaction at frozen molecular geometries within approaches based on a single (or a few) Slater determinant(s). In the solid-state community, polyacetylene, th... view moreĀ»