New tools for the systematic analysis and visualization of electronic excitations: I. Formalism
A variety of density matrix based methods for the analysis and visualization of electronic excitations are discussed and their implementation within the framework of the algebraic diagrammatic construction of the polarization propagator is reported. Their mathematical expressions are given and an ex...
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| Main Authors: | , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
10 July 2014
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| In: |
The journal of chemical physics
Year: 2014, Volume: 141, Issue: 2 |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.4885819 |
| Online Access: | Verlag, Volltext: http://dx.doi.org/10.1063/1.4885819 Verlag, Volltext: http://aip.scitation.org/doi/full/10.1063/1.4885819 
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| Author Notes: | Felix Plasser, Michael Wormit, and Andreas Dreuw |