Two-component natural spinors from two-step spin-orbit coupled wave functions

Relativistic T×T and T×E Jahn–Teller coupling in tetrahedral systems

(2010) Leonid V. Poluyanov et al.   CHEMICAL PHYSICS

Energy level shifts in two-step spin–orbit coupling ab initio calculations

(2010) Goar Sánchez-Sanz et al.   CHEMICAL PHYSICS LETTERS

Model core potentials of p-block elements generated considering the Douglas–Kroll relativistic effects, suitable for accurate spin-orbit coupling calculations

(2010) Tao Zeng et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method

(2010) Dmitri G. Fedorov et al.   JOURNAL OF CHEMICAL PHYSICS

Relativistic Jahn-Teller effect in tetrahedral systems

(2010) Daniel Opalka et al.   PHYSICAL REVIEW A

Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas–Kroll level. I. Theory and applications to Pb and Bi

(2009) Tao Zeng et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of the Spin−Orbit Interaction within the Graphically Contracted Function Method†

(2009) Scott R. Brozell et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical chemistry of gold. III

(2008) Pekka Pyykkö   CHEMICAL SOCIETY REVIEWS

Spin-orbit configuration interaction study of the electronic structure of the 5f2 manifold of U4+ and the 5f manifold of U5+

(2008) Cécile Danilo et al.   JOURNAL OF CHEMICAL PHYSICS

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

(2008) Alberto Castro et al.   JOURNAL OF CHEMICAL PHYSICS

Self-consistent treatment of spin–orbit interactions with efficient Hartree–Fock and density functional methods

(2008) Markus K. Armbruster et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ground state of octahedral platinum hexafluoride

(2008) Luis Alvarez-Thon et al.   PHYSICAL REVIEW A