A library for computing integrals that arise in Kutzelnigg’s linear R12 theories
libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.
Release | Stable | Testing |
---|---|---|
Fedora Rawhide | 1.2.1-14.fc35 | - |
Fedora 35 | 1.2.1-14.fc35 | - |
Fedora 34 | 1.2.1-13.fc34 | - |
EPEL 7 | 1.2.1-2.el7 | - |
You can contact the maintainers of this package via email at
libint dash maintainers at fedoraproject dot org
.