Getting excited: Challenges in quantum-classical studies of excitons in polymeric systems

A combination of classical molecular dynamics (MM/MD) and quantum chemical calculations based on the density functional theory (DFT) was performed to describe conformational properties of diphenylethyne (DPE), methylated-DPE and poly para phenylene ethynylene (PPE). DFT calculations were employed to improve and develop force field parameters for MM/MD simulations. Many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation were utilized to describe excited states of the systems. Reliability of the excitation energies based on the MM/MD conformations was examined and compared to the excitation energies from DFT conformations. The results show an overall agreement between the optical excitations based on MM/MD conformations and DFT conformations. This allows for calculation of excitation energies based on MM/MD conformations

20140904.2: Classical Studies, 1915-1984

These items include materials from the Department of Classical Studies at Marshall University from 1915-1984. Items were received in 2014 and include notable materials from the Classical Language Association, lecture slides, readings, suggested changes in the university calendar, and Marshall University News from May 30, 1984. This is not an exhaustive list. Please download the finding aid for a full list of content

Preface to Illinois Classical Studies v.18 1993: Studies in Honor of Miroslav Marcovich

published or submitted for publicatio

The economic return of classical studies

openUsing an IPWRA estimator, we estimate the effect of high school choice (classical lyceum vs scientific lyceum) on labour market outcomes. Morover, we investigate the existence of a gap in the return to college between classical and scientific studies

Commentaries and post-beginners' language teaching

This paper suggests an approach to, and some of the potential benefits of, introducing work with commentaries into a post-beginners' language course and considers the ways in which working with commentaries can usefully enrich students' study across a classical studies curriculum

Scalable Named Entity Identification in Classical Studies

The Perseus Project and the Collections and Archives of Tufts University propose to develop infrastructure for finding references to particular people and places from classical antiquity in several ancient and modern languages in primary and secondary source collections. We will offer and publish open-source, stand alone services and Fedora repository disseminators for searching, browsing, and visualizing entities within the Tufts Digital Library. Under a creative commons license, we will publish knowledge sources such as: linguistic data to identify forms of the most common 60,000 proper classical names in seven languages; knowledge base of the 30,000 people and places most prominent in texts; indices associating c. 200,000 passages with particular entities and an association network of 500,000 tagged names for named entity identification systems; automatically generated index of classical people and places identified in a 1 billion-word testbed of both scholarly and general cultural documents

Illinois Classical Studies v.13, no.1 Spring 1988

published or submitted for publicatio