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...
Gespeichert in:
| Hauptverfasser: | , , , , , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
04 Mar 2014
|
| In: |
Molecular physics
Year: 2014, Jahrgang: 112, Heft: 5-6, Pages: 774-784 |
| ISSN: | 1362-3028 |
| DOI: | 10.1080/00268976.2013.859313 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1080/00268976.2013.859313
|
| Verfasserangaben: | Michael Wormit, Dirk R. Rehn, Philipp H.P. Harbach, Jan Wenzel, Caroline M. Krauter, Evgeny Epifanovsky, Andreas Dreuw |
MARC
| LEADER | 00000caa a22000002c 4500 | ||
|---|---|---|---|
| 001 | 1566416248 | ||
| 003 | DE-627 | ||
| 005 | 20220814044104.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 171215s2014 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1080/00268976.2013.859313 |2 doi | |
| 035 | |a (DE-627)1566416248 | ||
| 035 | |a (DE-576)496416243 | ||
| 035 | |a (DE-599)BSZ496416243 | ||
| 035 | |a (OCoLC)1340983281 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 30 |2 sdnb | ||
| 100 | 1 | |a Wormit, Michael |d 1977-2015 |e VerfasserIn |0 (DE-588)139246460 |0 (DE-627)609449974 |0 (DE-576)310886953 |4 aut | |
| 245 | 1 | 0 | |a Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator |c Michael Wormit, Dirk R. Rehn, Philipp H.P. Harbach, Jan Wenzel, Caroline M. Krauter, Evgeny Epifanovsky, Andreas Dreuw |
| 264 | 1 | |c 04 Mar 2014 | |
| 300 | |a 11 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Published online: 28 Oct 2013 | ||
| 500 | |a Gesehen am 15.12.2017 | ||
| 520 | |a 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. | ||
| 650 | 4 | |a excited states | |
| 650 | 4 | |a algebraic diagrammatic construction | |
| 650 | 4 | |a polarisation propagator | |
| 700 | 1 | |a Rehn, Dirk R. |e VerfasserIn |0 (DE-588)1081522836 |0 (DE-627)846234025 |0 (DE-576)454487649 |4 aut | |
| 700 | 1 | |a Harbach, Philipp H. P. |e VerfasserIn |0 (DE-588)1043229140 |0 (DE-627)770437869 |0 (DE-576)394584732 |4 aut | |
| 700 | 1 | |a Wenzel, Jan |e VerfasserIn |0 (DE-588)1099731909 |0 (DE-627)858750090 |0 (DE-576)469350792 |4 aut | |
| 700 | 1 | |a Krauter, Caroline M. |e VerfasserIn |0 (DE-588)1050858417 |0 (DE-627)785204660 |0 (DE-576)405234961 |4 aut | |
| 700 | 1 | |a Dreuw, Andreas |d 1972- |e VerfasserIn |0 (DE-588)1060214598 |0 (DE-627)799305626 |0 (DE-576)416304974 |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Molecular physics |d London : Taylor & Francis, 1958 |g 112(2014), 5-6, Seite 774-784 |h Online-Ressource |w (DE-627)302465936 |w (DE-600)1491083-4 |w (DE-576)079719260 |x 1362-3028 |7 nnas |a Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator |
| 773 | 1 | 8 | |g volume:112 |g year:2014 |g number:5-6 |g pages:774-784 |g extent:11 |a Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1080/00268976.2013.859313 |x Verlag |x Resolving-System |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20171215 | ||
| 993 | |a Article | ||
| 994 | |a 2014 | ||
| 998 | |g 1060214598 |a Dreuw, Andreas |m 1060214598:Dreuw, Andreas |d 700000 |d 708000 |e 700000PD1060214598 |e 708000PD1060214598 |k 0/700000/ |k 1/700000/708000/ |p 7 |y j | ||
| 998 | |g 1050858417 |a Krauter, Caroline M. |m 1050858417:Krauter, Caroline M. |d 700000 |d 708000 |e 700000PK1050858417 |e 708000PK1050858417 |k 0/700000/ |k 1/700000/708000/ |p 5 | ||
| 998 | |g 1099731909 |a Wenzel, Jan |m 1099731909:Wenzel, Jan |d 700000 |d 708000 |e 700000PW1099731909 |e 708000PW1099731909 |k 0/700000/ |k 1/700000/708000/ |p 4 | ||
| 998 | |g 1043229140 |a Harbach, Philipp H. P. |m 1043229140:Harbach, Philipp H. P. |p 3 | ||
| 998 | |g 1081522836 |a Rehn, Dirk R. |m 1081522836:Rehn, Dirk R. |d 700000 |d 708000 |e 700000PR1081522836 |e 708000PR1081522836 |k 0/700000/ |k 1/700000/708000/ |p 2 | ||
| 998 | |g 139246460 |a Wormit, Michael |m 139246460:Wormit, Michael |d 700000 |d 708000 |e 700000PW139246460 |e 708000PW139246460 |k 0/700000/ |k 1/700000/708000/ |p 1 |x j | ||
| 999 | |a KXP-PPN1566416248 |e 2990031219 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"id":{"eki":["1566416248"],"doi":["10.1080/00268976.2013.859313"]},"relHost":[{"disp":"Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagatorMolecular physics","part":{"volume":"112","extent":"11","text":"112(2014), 5-6, Seite 774-784","pages":"774-784","year":"2014","issue":"5-6"},"titleAlt":[{"title":"MP"}],"note":["Gesehen am 19.11.21"],"origin":[{"dateIssuedDisp":"1958-","publisherPlace":"London","publisher":"Taylor & Francis","dateIssuedKey":"1958"}],"type":{"bibl":"periodical","media":"Online-Ressource"},"title":[{"title":"Molecular physics","subtitle":"MP ; an international journal in the field of chemical physics","title_sort":"Molecular physics"}],"language":["eng"],"physDesc":[{"extent":"Online-Ressource"}],"recId":"302465936","pubHistory":["1.1958 -"],"id":{"zdb":["1491083-4"],"eki":["302465936"],"issn":["1362-3028"]}}],"physDesc":[{"extent":"11 S."}],"name":{"displayForm":["Michael Wormit, Dirk R. Rehn, Philipp H.P. Harbach, Jan Wenzel, Caroline M. Krauter, Evgeny Epifanovsky, Andreas Dreuw"]},"recId":"1566416248","note":["Published online: 28 Oct 2013","Gesehen am 15.12.2017"],"title":[{"title_sort":"Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator","title":"Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator"}],"origin":[{"dateIssuedDisp":"04 Mar 2014","dateIssuedKey":"2014"}],"type":{"bibl":"article-journal","media":"Online-Ressource"},"language":["eng"],"person":[{"family":"Wormit","display":"Wormit, Michael","role":"aut","given":"Michael"},{"display":"Rehn, Dirk R.","family":"Rehn","given":"Dirk R.","role":"aut"},{"role":"aut","given":"Philipp H. P.","family":"Harbach","display":"Harbach, Philipp H. P."},{"display":"Wenzel, Jan","family":"Wenzel","given":"Jan","role":"aut"},{"display":"Krauter, Caroline M.","family":"Krauter","role":"aut","given":"Caroline M."},{"given":"Andreas","role":"aut","family":"Dreuw","display":"Dreuw, Andreas"}]} | ||
| SRT | |a WORMITMICHINVESTIGAT0420 | ||