| Literature DB >> 19256599 |
Andrea Amadei1, Maira D'Alessandro, Marco D'Abramo, Massimiliano Aschi.
Abstract
In this article we characterize, by means of the perturbed matrix method, the response of the electronic states of a chemical system to the perturbing environment. In the theory section we describe in detail the basic derivations and implications of the method, extending its theoretical framework to treat possible excitonic effects, and we show how to characterize the perturbed electronic states. Finally, by using a set of chemical systems interacting with complex atomic-molecular environments, we describe the nature and general features of the electronic state mixing and transitions as caused by atomic and molecular interactions.Mesh:
Year: 2009 PMID: 19256599 DOI: 10.1063/1.3080887
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488