CORDIS Project
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This project aims to enhance quantum mechanical calculations of small molecules by incorporating complex effects such as non-adiabatic interactions and relativistic influences. The goal is to achieve unprecedented accuracy in energy measurements, facilitating better understanding of molecular phenomena.
I propose research for an increasingly accurate quantum mechanical computation of small molecular systems including non-adiabatic, relativistic, and radiative effects.
The computed rovibronic energy intervals will be directly comparable with high-resolution and precision spectroscopy measurements.
The accuracy goal for theory (and experiment) is more than six-orders of magnitude tighter than the usual chemical accuracy defined to be on the order of 1 kcal/mol.
The rovibronic eigenstates obtained…
EOTVOS LORAND TUDOMANYEGYETEM
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