The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach
read the original abstract
We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the projection of some two-electron reduced Hamiltonian on the dual cone of $N$-representability conditions. Some numerical results validate the approach, both for equilibrium geometries and for the dissociation curve of N$_2$.
This paper has not been read by Pith yet.
Forward citations
Cited by 2 Pith papers
-
Correlated Purification for Restoring $N$-Representability in Quantum Simulation
Correlated purification via bi-objective semidefinite programming restores N-representability to noisy 2-RDMs from fermionic shadow tomography and achieves chemical accuracy on hydrogen chain dissociation curves.
-
Entanglement Complexity in Many-body Systems from Positivity Scaling Laws
Proves a general complexity bound: quantum systems solvable via size-independent level-p positivity have entanglement complexity scaling polynomially in p, linking RDM N-representability constraints to computational t...
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.