| Name : libr12
| |
| Version : 1.1.5
| Vendor : Fedora Project
|
| Release : 3.fc19
| Date : 2013-12-23 11:54:41
|
| Group : System Environment/Libraries
| Source RPM : libint-1.1.5-3.fc19.src.rpm
|
| Size : 18.17 MB
| |
| Packager : Fedora Project
| |
| 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.
|
RPM found in directory: /packages/linux-pbone/archive.fedoraproject.org/fedora/linux/updates/19/x86_64 |
