Revisiting the variational two-particle reduced density matrix for nuclear systems
arXiv:2106.04103 · doi:10.1103/PhysRevC.103.064324
Abstract
In most nuclear many-body methods, observables are calculated using many-body wave functions explicitly. The variational two-particle reduced density matrix method is one of the few exceptions to the rule. Ground-state energies of both closed-shell and open-shell nuclear systems can indeed be evaluated by minimizing a constrained linear functional of the two-particle reduced density matrix. However, it has virtually never been used in nuclear theory, because nuclear ground states were found to be well overbound, contrary to those of atoms and molecules. Consequently, we introduced new constraints in the nuclear variational two-particle reduced density matrix method, developed recently for atomic and molecular systems. Our calculations then show that this approach can provide a proper description of nuclear systems where only valence neutrons are included. For the nuclear systems where both neutrons and protons are active, however, the energies obtained with the variational two-particle reduced density matrix method are still overbound. The possible reasons for the noticed discrepancies and solutions to this problem will be discussed.
arXiv comment14 pages, 9 figures
References in corpus (30)
- The Shell Model as Unified View of Nuclear Structure
- Quantum Monte Carlo methods for nuclear physics
- Nuclear Energy Density Optimization
- The In-Medium Similarity Renormalization Group: A Novel Ab Initio Method for Nuclei
- Evolution of shell structure in exotic nuclei
- Microscopic Clustering in Light Nuclei
- Systematic study of deformed nuclei at the drip lines and beyond
- Gamow Shell Model Description of Neutron-Rich Nuclei
- Shell Model in the Complex Energy Plane
- Non-Empirical Interactions for the Nuclear Shell Model: An Update
- Structure of Fermionic Density Matrices: Complete N-representability Conditions
- Coupled-cluster theory for three-body Hamiltonians
- Two-Particle Resonant States in a Many-Body Mean Field
- Augmented Lagrangian Method for Constrained Nuclear Density Functional Theory
- Emergent properties of nuclei from ab initio coupled-cluster calculations
- Quantified Gamow Shell Model interaction for -shell nuclei
- A Minimal Nuclear Energy Density Functional
- Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon and silicon
- Probing neutron correlations through nuclear break-up
- Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions
- Gamow shell model description of proton scattering on Ne
- A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
- Neutron-rich calcium isotopes within realistic Gamow shell model calculations with continuum coupling
- Microscopic-Macroscopic Approach for Binding Energies with the Wigner-Kirkwood Method - II
- Truncation scheme of time-dependent density-matrix approach
- Exact Two-body Expansion of the Many-particle Wave Function
- The role of orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix
- Truncation scheme of time-dependent density-matrix approach II
- Nuclear ground states in a consistent implementation of the time-dependent density matrix approach
- Truncation scheme of time-dependent density-matrix approach III