CORDIS Project
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This project focuses on developing new computational methods in quantum chemistry and atomic physics, specifically through the creation of orbital-free functionals. It aims to enhance the efficiency of electronic structure calculations, which have applications in various fields, including biochemistry and chemical reac…
This proposal aims to put me at the forefront of research in two related domains: quantum chemistry and atomic physics.
These domains have the same origin in finding solutions to the Schrödinger equation.
Although the methods in both domains stem from the same ab initio approach, they departed from their common ground and developed methods specific to their problems. A few decades ago a revolutionary method came to quantum chemistry:
Density Functional Theory (DFT).
In this theory the electronic…
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