171 citations · 392 across the 10 of their papers we have counts for
10 papers
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich +16
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determina…
A Jeziorski-Monkhorst fully uncontracted Multi-Reference perturbative treatment I: principles, second-order versions and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron +2
The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorsky-Mokhorst expansion using individual Slater determinants as…
Alternative definition of excitation amplitudes in Multi-Reference state-specific Coupled Cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu +1
A central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC) formalisms concerns the definition of the amplitudes of the single and double excitation operators ap…
Efficiency of a Multi-Reference Coupled Cluster method
Emmanuel Giner, Grégoire David, Anthony Scemama +1
The multi-reference Coupled Cluster method first proposed by Meller et al (J. Chem. Phys. 1996) has been implemented and tested. Guess values of the amplitudes of the single and do…
Parity law of the singlet-triplet gap in graphitic ribbons
Mohamad Al Hajj, Fabien Alet, Sylvain Capponi +3
This work explores the possibility to transfer the parity law of the singlet-triplet gap established for square ladders (gapped for even number of legs, gapless for odd number of l…
Theoretical studies of the phase transition in the anisotropic 2-D square spin lattice
Mohamad Al Hajj, Nathalie Guihery, Jean-Paul Malrieu +1
The phase transition occurring in a square 2-D spin lattice governed by an anisotropic Heisenberg Hamiltonian has been studied according to two recently proposed methods. The first…