Lasse Jensen wins Early-Career Award in Theoretical Chemistry

Congratulations to Lasse Jensen with his ACS Physical Chemistry award for the development of his discrete interaction model/quantum mechanics (DIM/QM) method!

With DIM/QM the excited states of molecules on nanoparticles can be studied fully at the atomistic level. A TDDFT description of the molecule is coupled to an electrodynamical treatment of the nanoparticle, including electrostatics and polarization of the atoms. DIM/QM has several interesting applications such as surface-enhance Raman scattering (SERS), surface-enhanced Raman optical activity (SEROA), and plasmon-enhanced photochemistry.

We are looking forward to include more recent advances by the Jensen group in the public ADF version, including damped quadratic and cubic response giving access to interesting properties such as two-photon absorption (TPA), third harmonic generation (THG), and surface-enhanced hyper-Raman scattering (SEHRS).