title: Matrix effects in the C 1s photoabsorption spectra of condensed naphthalene.
abstract: High-resolution C 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of naphthalene are investigated. By comparing the spectral signatures of condensed naphthalene molecules with those of naphthalene in the gas phase, we are able to unambiguously identify spectral features which are affected by the intermolecular interactions in the condensed phase. With the help of calculations using time-dependent density-functional theory and the second-order algebraic-diagrammatic construction scheme for the polarization propagator, resonances in the relevant energy range can be assigned to valence and Rydberg-like excitations. Thus, we obtain a more detailed identification of NEXAFS resonances beyond the present literature.
authors.affiliation: Interdisciplinary Center of Molecular Materials (ICMM) and Interdisciplinary Center for Interface-Controlled Processes (IC-ICP), Department of Chemistry and Pharmacy, Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstraße 3, D-91058 Erlangen, Germany.
authors.forename: Norman
authors.initials: N
authors.lastname: Schmidt
authors.affiliation: Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.
authors.forename: Jan
authors.initials: J
authors.lastname: Wenzel
authors.affiliation: Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.
authors.forename: Andreas
authors.initials: A
authors.lastname: Dreuw
authors.affiliation: Interdisciplinary Center of Molecular Materials (ICMM) and Interdisciplinary Center for Interface-Controlled Processes (IC-ICP), Department of Chemistry and Pharmacy, Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstraße 3, D-91058 Erlangen, Germany.
authors.forename: Rainer H
authors.initials: RH
authors.lastname: Fink
authors.affiliation: Lehrstuhl für Theoretische Chemie and Interdisciplinary Center of Molecular Materials (ICMM), Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstraße 3, D-91058 Erlangen, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Hieringer