output
20172025
most citedQuantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

171 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2019Show all

3 papers · 1 filter

physics.chem-ph2019★ 24 cited

Efficient analytic second derivative of electrostatic embedding QM/MM energy: normal mode analysis of plant cryptochrome

Karno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant

Analytic second derivatives of electrostatic embedding (EE) quantum mechanics/molecular mechanics (QM/MM) energy are important for performing vibrational analysis and simulating vi…

cond-mat.str-el2019★ 11 cited

Frustration, ring exchange, and the absence of long-range order in EtMeSb[Pd(dmit)]: from first principles to many-body theory

E. P. Kenny, G. David, N. Ferré +2

We parameterize Hubbard and spin models for EtMeSb[Pd(dmit)] from broken symmetry density functional calculations. This gives a scalene triangular model where the large…

physics.comp-ph2019★ 171 cited

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…