Calculation of the local environment of a barium monofluoride molecule in an argon matrix: a step towards using matrix-isolated BaF for determining the electron electric dipole moment

9341 2023 eng 6 121 article 0 -- -- -- Calculation of the local environment of a barium monofluoride molecule in an argon matrix: a step towards using matrix-isolated BaF for determining the electron electric dipole moment Molecular Physics 10.1080/00268976.2023.2198044 yes 2023-04-09 publish Ricardo Lewis Lambo Anita Ragyanszki Gregory K. Koyanagi Anita Ragyanszki Marko Horbatsch Rene Fournier Eric A. Hessels Distributed Algorithms and Supercomputing no-project Ragyanszki, Anita