Electronic properties of formaldehyde in water: a theoretical study

Author(s)
Amadei, A.
D’Abramo, M.
Zazza, C.
Aschi, M.
Date Issued
2003
Type
article
Volume
381
Issue
1-2
Start Page
187
End Page
193
DOI
Journal
Abstract
In this Letter, we use the recently introduced perturbed matrix method (PMM) to study in detail the electronic properties of formaldehyde in water, as obtained by applying this method to Molecular Dynamics simulation data. Results show that PMM provides an accurate description at relatively low computational costs.
Handle