William C Mackrodt

3PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theory
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (3)

|Jan 17, 2024
The energies and charge and spin distributions in the low-lying levels of singlet and triplet N2V defects in diamond from direct variational calculations of the excited states.

William C Mackrodt, Alexander Platonenko, Fabien Pascale

|Sep 01, 2022
Self-trapped excitons in diamond: A Δ-SCF approach.

William C Mackrodt, Alexander Platonenko, Roberto Dovesi

|Sep 23, 2020
Predicted strong spin-phonon interactions in Li-doped diamond.

Francesco S Gentile, William C Mackrodt, Neil L Allan

Pageof 1

Frequent Collaborators

3 joint publications

Roberto Dovesi

2 joint publications

Alexander Platonenko

1 joint publications

Francesco S Gentile

1 joint publications

Neil L Allan