36 lines
910 B
Markdown
36 lines
910 B
Markdown
---
|
|
title: "Quantum Package"
|
|
date: 2020-07-09T17:50:54+02:00
|
|
draft: false
|
|
---
|
|
|
|
Web page : https://git.irsamc.ups-tlse.fr/LCPQ/qp2
|
|
|
|
The quantum package is a programming environment for quantum chemistry. It contains implementations of determinant-driven algorithms for post-Hartree-Fock methods (CIPSI, MR-CC, etc).
|
|
|
|
## Download
|
|
|
|
The quantum package requires
|
|
- IRPF90
|
|
- EZFIO
|
|
|
|
## People involved
|
|
- Thomas Applencourt
|
|
- Michel Caffarel
|
|
- Grégoire David
|
|
- Yann Garniron
|
|
- Emmanuel Giner
|
|
- Benjamin Sanchez Lengeling
|
|
- Anthony Scemama
|
|
|
|
|
|
## Related Papers
|
|
[An efficient implementation of Slater-Condon rules](http://fr.arxiv.org/abs/1311.6244)
|
|
|
|
A. Scemama, E. Giner, ArXiv e-prints, arXiv:1311.6244 [physics.comp-ph], 2013.
|
|
|
|
[Efficiency of a Multi-Reference Coupled Cluster method](http://arxiv.org/abs/1509.03114)
|
|
|
|
E. Giner, G. David, A. Scemama, J. P. Malrieu arXiv:1509.03114 [physics.chem-ph], 2015.
|
|
|