lcpq-codes/content/quantum-package/_index.md

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).

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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

A. Scemama, E. Giner, ArXiv e-prints, arXiv:1311.6244 [physics.comp-ph], 2013.

Efficiency of a Multi-Reference Coupled Cluster method

E. Giner, G. David, A. Scemama, J. P. Malrieu arXiv:1509.03114 [physics.chem-ph], 2015.