Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

The development of reliable theoretical methods and the provision of efficient computer programs for the investigation of optical spectra and photochemistry of large molecules in general is one of the most important tasks of contemporary theoretical chemistry. Here, we present an overview of the cur...

Full description

Saved in:
Bibliographic Details
Published in:Molecular physics 2014-03, Vol.112 (5-6), p.774-784
Main Authors: Wormit, Michael, Rehn, Dirk R., Harbach, Philipp H.P., Wenzel, Jan, Krauter, Caroline M., Epifanovsky, Evgeny, Dreuw, Andreas
Format: Article
Language:English
Subjects:
Algebra
algebraic diagrammatic construction
Computer programs
Construction
Excitation
excited states
Molecular physics
Photochemistry
polarisation propagator
Spectra
Tasks
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The development of reliable theoretical methods and the provision of efficient computer programs for the investigation of optical spectra and photochemistry of large molecules in general is one of the most important tasks of contemporary theoretical chemistry. Here, we present an overview of the current features of our implementation of the algebraic diagrammatic construction scheme of the polarisation propagator, which is a versatile and robust approach for the theoretical investigation of excited states and their properties.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976.2013.859313