Novel X2C relativistic quantum chemistry method adapted for multiwavelet bases enables efficient, accurate calculations of heavy element properties by coupling Dirac theory with adaptive basis functions.
@informaq.bsky.social@informaq.bsky.social
@informaq.bsky.socialNovel X2C relativistic quantum chemistry method adapted for multiwavelet bases enables efficient, accurate calculations of heavy element properties by coupling Dirac theory with adaptive basis functions.