| Name: | libr12 |
|---|---|
| Version: | 1.2.1 |
| Release: | 16.el8 |
| Architecture: | x86_64 |
| Group: | Unspecified |
| Size: | 19519938 |
| License: | LGPLv3 |
| RPM: | libr12-1.2.1-16.el8.x86_64.rpm |
| Source RPM: | libint-1.2.1-16.el8.src.rpm |
| Build Date: | Thu Nov 03 2022 |
| Build Host: | build-ol8-x86_64.oracle.com |
| Vendor: | Oracle America |
| URL: | http://sourceforge.net/p/libint |
| Summary: | A library for computing integrals that arise in Kutzelnigg’s linear R12 theories |
| Description: | 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. |