Self-consistent Dirac-squared beats Dirac for atomic energies in a multiwavelet framework.
Abstract
Poster created originally for the conference in MPQCP in Kobe, January 2026, about the upcoming article on the precision gain obtained by using the dirac square operator instead of the dirac operator for the SCF, using VAMPyR proof-of-concept code.
Fields of Study & Subjects
Advanced Chemical Physics Studies
Atomic and Molecular Physics
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 9 January 2026
- Language
- EN