| Name : libr12
| |
| Version : 1.2.1
| Vendor : Fedora Project
|
| Release : 20.fc40
| Date : 2024-01-25 03:38:45
|
| Group : Unspecified
| Source RPM : libint-1.2.1-20.fc40.src.rpm
|
| Size : 17.76 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: /vol/rzm3/linux-fedora-buffet/linux/development/40/Everything/x86_64/os/Packages/l |
