@article{UBHD-67464906, author={Calvo, Florent and Wormit, Michael}, title={Erkl{\"a}rung des niedrigen Schmelzpunkts von Quecksilber mit relativistischen Effekten}, year={2013}, pages={7731-7734}, language={ger}, issn={1521-3757}, volume={125}, number={29}, note={Gesehen am 28.08.2013}, journal={Angewandte Chemie}, doi={10.1002/ange.201302742}, } @article{UBHD-67464905, author={Calvo, Florent and Wormit, Michael}, title={Evidence for low-temperature melting of mercury owing to relativity}, year={2013}, pages={7583-7585}, language={ger}, issn={1521-3773}, volume={52}, number={29}, note={Gesehen am 28.08.2013}, journal={Angewandte Chemie}, doi={10.1002/anie.201302742}, } @article{UBHD-69042753, author={Dreuw, Andreas and Pl{\"o}tner, J{\"u}rgen and Wormit, Michael and Head-Gordon, Martin and Dutoi, Anthony Dean}, title={An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory}, year={2010}, pages={311-324}, language={eng}, issn={2196-7156}, volume={224}, number={3/4}, note={Gesehen am 16.02.2023}, journal={Zeitschrift f{\"u}r physikalische Chemie}, doi={10.1524/zpch.2010.6107}, } @article{UBHD-68200215, author={Dreuw, Andreas and Wormit, Michael}, title={The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states}, year={2015}, pages={82-95}, language={eng}, issn={1759-0884}, volume={5}, number={1}, note={Published online: Sep 26 2014 ; Gesehen am 08.12.2017}, journal={Wiley interdisciplinary reviews}, doi={10.1002/wcms.1206}, } @article{UBHD-68202927, author={Epifanovsky, Evgeny and Wormit, Michael and Dreuw, Andreas}, title={New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations}, year={2013}, pages={2293-2309}, language={eng}, issn={1096-987X}, volume={34}, number={26}, note={Gesehen am 18.12.2017}, journal={Journal of computational chemistry}, doi={10.1002/jcc.23377}, } @article{UBHD-68202314, author={Harbach, Philipp H. P. and Wormit, Michael and Dreuw, Andreas}, title={The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules}, subtitle={efficient implementation and benchmarking}, year={2014}, pages={17 S.}, language={eng}, issn={1089-7690}, volume={141(2014}, note={Gesehen am 15.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4892418}, } @article{UBHD-68200697, author={Holland, David M.P. and Gromov, Evgeniy and Wormit, Michael and Dreuw, Andreas}, title={A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations}, year={2015}, pages={184-195}, language={eng}, issn={0022-2852}, volume={315}, number={Supplement C}, note={Gesehen am 12.12.2017}, journal={Journal of molecular spectroscopy}, doi={10.1016/j.jms.2015.03.002}, } @article{UBHD-68202945, author={Knippenberg, Stefan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas}, title={Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach}, subtitle={two-photon absorption spectra}, year={2012}, language={eng}, issn={1089-7690}, volume={136(2012}, note={Gesehen am 18.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.3682324}, } @article{UBHD-68199941, author={Lefrancois, Daniel and Wormit, Michael and Dreuw, Andreas}, title={Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz}, year={2015}, pages={10 S.}, language={eng}, issn={1089-7690}, volume={143(2015}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4931653}, } @article{UBHD-68200211, author={Mewes, Jan-Michael and Wormit, Michael and Kriesche, Thomas and Dreuw, Andreas}, title={Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution}, year={2015}, pages={5446-5464}, language={eng}, issn={1520-5215}, volume={119}, number={21}, note={Gesehen am 08.12.2017}, journal={The journal of physical chemistry}, doi={10.1021/jp511163y}, } @article{UBHD-68202329, author={Mewes, Stefanie and Plasser, Felix and Wormit, Michael and Dreuw, Andreas}, title={Exciton analysis of many-body wave functions}, subtitle={bridging the gap between the quasiparticle and molecular orbital pictures}, year={2014}, pages={12 S.}, language={eng}, issn={1094-1622}, volume={90(2014}, note={Gesehen am 15.12.2017}, journal={Physical review}, doi={10.1103/PhysRevA.90.052521}, } @article{UBHD-67747310, author={Plasser, Felix and Wormit, Michael and Dreuw, Andreas}, title={New tools for the systematic analysis and visualization of electronic excitations}, subtitle={I. Formalism}, year={2014}, pages={024106/1-024106/13}, language={eng}, issn={0021-9606}, volume={141}, journal={The journal of chemical physics}, } @article{UBHD-67747314, author={Plasser, Felix and Mewes, Stefanie and Wormit, Michael and Dreuw, Andreas}, title={New tools for the systematic analysis and visualization of electronic excitations}, subtitle={II. Applications}, year={2014}, pages={024107/1-024107/12}, language={eng}, issn={0021-9606}, volume={141}, journal={The journal of chemical physics}, } @article{UBHD-68199966, author={Plasser, Felix and Wormit, Michael and Dreuw, Andreas}, title={New tools for the systematic analysis and visualization of electronic excitations}, subtitle={I. Formalism}, year={2014}, language={eng}, issn={1089-7690}, volume={141(2014}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4885819}, } @article{UBHD-68199967, author={Plasser, Felix and Mewes, Stefanie and Wormit, Michael and Dreuw, Andreas}, title={New tools for the systematic analysis and visualization of electronic excitations}, subtitle={II. Applications}, year={2014}, language={eng}, issn={1089-7690}, volume={141(2014}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4885820}, } @article{UBHD-68200725, author={Plasser, Felix and Thomitzni, Benjamin and Mewes, Stefanie and Wenzel, Jan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas}, title={Statistical analysis of electronic excitation processes}, subtitle={spatial location, compactness, charge transfer, and electron-hole correlation}, year={2015}, pages={1609-1620}, language={eng}, issn={1096-987X}, volume={36}, number={21}, note={Gesehen am 12.12.2017}, journal={Journal of computational chemistry}, doi={10.1002/jcc.23975}, } @article{UBHD-68199958, author={Schneider, Matthias and Wormit, Michael and Dreuw, Andreas}, title={A fresh look at the photoelectron spectrum of bromobenzene}, subtitle={a third-order non-Dyson electron propagator study}, year={2015}, pages={12 S.}, language={eng}, issn={1089-7690}, volume={143(2015}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4931643}, } @article{UBHD-68201292, author={Shao, Yihan and Wormit, Michael and Harbach, Philipp H. P. and Krauter, Caroline M. and Rehn, Dirk R. and Wenzel, Jan and Dreuw, Andreas}, title={Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, year={2015}, pages={184-215}, language={eng}, issn={1362-3028}, volume={113}, number={2}, note={Published online: 03 Sep 2014 ; Gesehen am 13.12.2017}, journal={Molecular physics}, doi={10.1080/00268976.2014.952696}, } @article{UBHD-68199945, author={Wenzel, Jan and Holzer, Andre and Wormit, Michael and Dreuw, Andreas}, title={Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states}, year={2015}, language={eng}, issn={1089-7690}, volume={142(2015}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4921841}, } @article{UBHD-68200727, author={Wenzel, Jan and Wormit, Michael and Dreuw, Andreas}, title={Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator}, year={2014}, pages={1900-1915}, language={eng}, issn={1096-987X}, volume={35}, number={26}, note={Gesehen am 12.12.2017}, journal={Journal of computational chemistry}, doi={10.1002/jcc.23703}, } @article{UBHD-68201328, author={Wenzel, Jan and Wormit, Michael and Dreuw, Andreas}, title={Calculating X-ray absorption spectra of open-shell molecules with the unrestricted algebraic-diagrammatic construction scheme for the polarization propagator}, year={2014}, pages={4583-4598}, language={eng}, issn={1549-9626}, volume={10}, number={10}, note={Gesehen am 13.12.2017}, journal={Journal of chemical theory and computation}, doi={10.1021/ct5006888}, } @article{UBHD-68633615, author={Wiebke, Jonas and Wormit, Michael and Hellmann, R. and Pahl, E. and Schwerdtfeger, P.}, title={Can an ab initio three-body virial equation describe the mercury gas phase?}, year={2014}, pages={3392-3400}, language={eng}, issn={1520-5207}, volume={118}, number={12}, note={Gesehen am 01.09.2020}, journal={The journal of physical chemistry}, doi={10.1021/jp412260a}, } @article{UBHD-68202309, author={Wormit, Michael and Rehn, Dirk R. and Harbach, Philipp H. P. and Wenzel, Jan and Krauter, Caroline M. and Dreuw, Andreas}, title={Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator}, year={2014}, pages={774-784}, language={eng}, issn={1362-3028}, volume={112}, number={5-6}, note={Published online: 28 Oct 2013 ; Gesehen am 15.12.2017}, journal={Molecular physics}, doi={10.1080/00268976.2013.859313}, } @article{UBHD-68621302, author={Wormit, Michael and Olejniczak, MaƂgorzata and Deppenmeier, Anna-Lena and Borschevsky, Anastasia and Saue, Trond and Schwerdtfeger, Peter}, title={Strong enhancement of parity violation effects in chiral uranium compounds}, year={2014}, pages={17043-17051}, language={eng}, issn={1463-9084}, volume={16}, number={32}, note={Gesehen am 28.07.2020}, journal={Physical chemistry, chemical physics}, doi={10.1039/C4CP01904K}, }