Journal article

All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements

Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, Harry M Quiney

Physical Review B | AMER PHYSICAL SOC | Published : 2008

DOI: 10.1103/PhysRevB.77.233403

University of Melbourne Researchers

Citation metrics

20Web of Science
19Scopus

Keywords

Physical Sciences
Technology
Density-Functional Theory
Materials Science, Multidisciplinary
Physics, Condensed Matter
Diatomic-Molecules
Atom
Exchange
Science & Technology
Materials Science
Auxiliary Basis-Sets
Physics
Potentials
Physics, Applied