Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure Methods
WZ Van Benschoten, HR Petras… - The Journal of Physical …, 2023 - ACS Publications
We use full configuration interaction and density matrix quantum Monte Carlo methods to
calculate the electronic free energy surface of the nitrogen dimer within the free-energy Born …
calculate the electronic free energy surface of the nitrogen dimer within the free-energy Born …