A Caltech Library Service

Fully quantum simulation of surface enhanced Raman scattering from real-time ab-initio methods

Kretchmer, Joshua and Chan, Garnet (2017) Fully quantum simulation of surface enhanced Raman scattering from real-time ab-initio methods. In: 254th American Chemical Society National Meeting & Exposition, August 20-24, 2017, Washington, DC.

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item:


Surface enhanced Raman scattering (SERS) is the huge enhancement of the Raman signal of a mol. near a metal or nanoparticle surface due to coupling with the plasmon of the metal nanostructure. Although SERS was discovered several decades ago, a complete picture of the underlying mechanism still remains elusive due to the difficulty of treating the coupled metal-mol. system fully quantum mech.; the majority of previous studies have treated the plasmon classically accounting for only an electromagnetic enhancement of the Raman signal. However, it is well known that the SERS enhancement can be orders of magnitude larger than that predicted by electromagnetic enchancement. Here we go beyond the classical picture treating the plasmon and mol. fully quantum mech. through the use of real-time ab-initio methods. The presented work provides a deeper insight into the underlying mechanism of the SERS process.

Item Type:Conference or Workshop Item (Paper)
Related URLs:
URLURL TypeDescription Website
Kretchmer, Joshua0000-0003-3468-0481
Chan, Garnet0000-0001-8009-6038
Additional Information:© 2017 American Chemical Society.
Record Number:CaltechAUTHORS:20170915-101014693
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:81485
Deposited By: Tony Diaz
Deposited On:15 Sep 2017 17:15
Last Modified:09 Mar 2020 13:18

Repository Staff Only: item control page