The ATomic Structure Package - Version 2K ( ATSP2K code )

 This package is similar to the package described in the

book, "Computational Atomic Structure: An MCHF approach"
by C. Froese Fischer, Tomas Brage, and Per J\"onsson, but has
been modified and extended in a number of ways:

   1) extended to arbitrarily filled f-shells
   2) modified for fully orthogonal methodology (NO NON-ORTHOGONALITY!)
   3) modified for more efficient evaluation of matrix elements
   4) modified for sparse matrix methods using the Davidson algorithm
   5) extended for optimization on multiple terms or eigenvalues
   6) modified for efficient calculations of iso-electronic sequences
   7) modified to use biorthogonal transformations for transitions
   8) modified for Message passing (MPI) versions of the code

 

 https://github.com/tcarette/ATSP2K_plus

 

Multiconfiguration electron density function for the ATSP2K-package