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The Effect of Induced Multipoles on the Fifth-order Raman Response
Jansen, Thomas I.C.,Duppen, Koos,Snijders, Jaap G. Korean Chemical Society 2003 Bulletin of the Korean Chemical Society Vol.24 No.8
In our previous work we developed the Finite Field method in order to calculate the fifth-order Raman response. The method was applied to calculate various polarization components of the two-dimensional response of liquid $CS_2$. So far, all calculations relied on the dipole-induced dipole. Accurate time-dependent density functional theory calculations have shown that this model has big discrepancies, when molecules are close together as in the liquid. We now report results of investigations on the importance of multipole and electron overlap effects on the polarizability and the fifth-order Raman response. It is shown that these collision effects, especially the induced multipoles, are crucial in the description of the fifth-order response. The impact is found to be especially pronounced for the χ_{mmzzzz}^{(5)}$response that is solely due to interaction induced effects. The calculated response will be compared with various experimental results.
Rolf Apweiler,Tim Beissbarth,Michael R Berthold,Nils Blüthge,Yvonne Burmeister,Olaf Dammann,Andreas Deutsch,Friedrich Feuerhake,Andre Franke,Jan Hasenauer,Steve Hoffmann,Thomas Höfer,Peter LM Jansen,L 생화학분자생물학회 2018 Experimental and molecular medicine Vol.50 No.-
New technologies to generate, store and retrieve medical and research data are inducing a rapid change in clinical and translational research and health care. Systems medicine is the interdisciplinary approach wherein physicians and clinical investigators team up with experts from biology, biostatistics, informatics, mathematics and computational modeling to develop methods to use new and stored data to the benefit of the patient. We here provide a critical assessment of the opportunities and challenges arising out of systems approaches in medicine and from this provide a definition of what systems medicine entails. Based on our analysis of current developments in medicine and healthcare and associated research needs, we emphasize the role of systems medicine as a multilevel and multidisciplinary methodological framework for informed data acquisition and interdisciplinary data analysis to extract previously inaccessible knowledge for the benefit of patients.