Correlation and the 5F–3F energy separation in Ti

Charlotte Froese Fischer

 

 

• Department of Computer Science, Vanderbilt University, Nashville, Tennessee 37235

 

 

ABSTRACT

Multiconfiguration Hartree–Fock studies of the 4s3d^3 5F– 4s²3d^2 3F energy separation in titanium are reported. The f‐orbital basis is shown to be important as well as the LS dependent relativistic effects.

 

https://sci-hub.se/https://doi.org/10.1063/1.443166