Relativistic second order multi-configuration perturbation calculation program with 1- and 2-electron integrals obtained from the DIRAC calculation.
-
Updated
Feb 6, 2025 - Fortran
Relativistic second order multi-configuration perturbation calculation program with 1- and 2-electron integrals obtained from the DIRAC calculation.
Selected Solutions - Perturbation Theory and Methods
Efficient sampling of high dimensional spaces with complex, non-linear constraints
Add a description, image, and links to the perturbation-thoery topic page so that developers can more easily learn about it.
To associate your repository with the perturbation-thoery topic, visit your repo's landing page and select "manage topics."