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reduced-density-matrices

Here are 5 public repositories matching this topic...

DoNOF / DoNOFsw

Donostia Natural Orbital Functional Software

computational-chemistry quantum-chemistry electronic-structure molecular-modeling reduced-density-matrices natural-orbitals natural-orbital-functional

Updated Sep 1, 2025
BASIC

SinaMostafanejad / OpenRDM

An open-source library for reduced-density matrix-based analysis and computation

density-functional-theory quantum-chemistry electronic-structure strongly-correlated-systems reduced-density-matrices

Updated Apr 2, 2023
C++

rigetti / representability

Representability is a library to work with linearly constrained mathematical programs over tensors.

semidefinite-programming reduced-density-matrices tensor-objects

Updated Oct 25, 2018
Python

beddalumia / TurboRDM-ED

Fast-trace algorithm to compute reduced density matrices within (cluster) dynamical mean-field theory. Exported to @QcmPlab / CDMFT-LANC-ED.

exact-diagonalization dmft reduced-density-matrices density-matrix cdmft

Updated Dec 29, 2021
Fortran

Machine-Learning-Universal-Bosonic-Functionals

cabenav / Machine-Learning-Universal-Bosonic-Functionals

Codes for J. Schmidt, M. Fadel and C. Benavides-Riveros, Machine learning universal bosonic functionals, Phys. Rev. Research 3, L032063 (2021).

machine-learning-algorithms reduced-density-matrices bosonic-statistics ground-state-energy

Updated Sep 8, 2021
Python

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