Ontology highlight
ABSTRACT:
SUBMITTER: Park SH
PROVIDER: S-EPMC4862321 | biostudies-literature | 2016 May
REPOSITORIES: biostudies-literature
Park Sang Han SH Kwon Soonnam S
Scientific data 20160510
Angle-resolved photoemission spectroscopy (ARPES) data on electronic structure are difficult to interpret, because various factors such as atomic structure and experimental setup influence the quantum mechanical effects during the measurement. Therefore, we simulated ARPES of nano-sized molecules to corroborate the interpretation of experimental results. Applying the independent atomic-center approximation, we used density functional theory calculations and custom-made simulation code to compute ...[more]