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We present a constructive solution to the N-representability problem---a full characterization of the conditions for constraining the two-electron reduced density matrix (2-RDM) to represent an N-electron density matrix. Previously known…

量子物理 · 物理学 2012-07-04 David A. Mazziotti

We present a new generic approach to the condensed-matter ground-state problem which is complementary to variational techniques and works directly in the thermodynamic limit. Relaxing the ground-state problem, we obtain semidefinite…

强关联电子 · 物理学 2012-08-08 Thomas Barthel , Robert Hübener

The low temperature thermodynamics of correlated 1D fermionic models with spin and charge degrees of freedom is obtained by exact diagonalization (ED) of small systems and followed by density matrix renormalization group (DMRG) calculations…

强关联电子 · 物理学 2022-03-11 Sudip Kumar Saha , Debasmita Maiti , Manoranjan Kumar , Zoltán G. Soos

We study the ground-state properties of a two-component fermionic mixture effectively confined in a one-dimensional harmonic trap. We consider scenarios when numbers of particles in components are the same but particles have different…

量子气体 · 物理学 2020-03-10 Patrycja Łydżba , Tomasz Sowiński

We theoretically investigate equal-mass spin-balanced two-component Fermi gases in which pairs of atoms with opposite spins interact via a short-range isotropic model potential. We probe the distinction between two-dimensional and…

量子气体 · 物理学 2025-06-27 Emma K. Laird , Brendan C. Mulkerin , Jia Wang , Matthew J. Davis

A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…

强关联电子 · 物理学 2013-05-29 Peter E. Bloechl , Christian F. J. Walther , Thomas Pruschke

A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A…

化学物理 · 物理学 2009-10-17 Bin Liu , Jerome K. Percus

Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…

化学物理 · 物理学 2016-06-21 Nicholas C. Rubin , David A. Mazziotti

Tensor network methods have progressed from variational techniques based on matrix-product states able to compute properties of one-dimensional condensed-matter lattice models into methods rooted in more elaborate states such as projected…

强关联电子 · 物理学 2021-08-23 C. Krumnow , L. Veis , J. Eisert , Ö. Legeza

The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can…

化学物理 · 物理学 2026-01-06 Grier M. Jones , Run. R. Li , A. Eugene DePrince , Konstantinos D. Vogiatzis

Fermionic reduced density matrices summarize the key observables in fermionic systems. In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to determine the energy and most physical observables of interest.…

量子物理 · 物理学 2023-06-12 Linqing Peng , Xing Zhang , Garnet Kin-Lic Chan

We study the ground state properties of the one-dimensional extended Hubbard model at half-filling from the perspective of its particle reduced density matrix. We focus on the reduced density matrix of $2$ fermions and perform an analysis…

强关联电子 · 物理学 2022-04-11 Diego L. B. Ferreira , Thiago O. Maciel , Reinaldo O. Vianna , Fernando Iemini

Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent…

The variational determination of the two-particle density matrix is an interesting, but not yet fully explored technique that allows to obtain ground-state properties of a quantum many-body system without reference to an $N$-particle wave…

强关联电子 · 物理学 2012-05-22 Brecht Verstichel , Helen van Aggelen , Ward Poelmans , Dimitri Van Neck

The ground-state properties of a few spin-1/2 fermions with different masses and interacting via short-range contact forces are studied within an exact diagonalization approach. It is shown that, depending on the shape of the external…

量子气体 · 物理学 2016-10-21 Daniel Pęcak , Tomasz Sowiński

The computation of strongly correlated quantum systems is challenging because of its potentially exponential scaling in the number of electron configurations. Variational calculation of the two-electron reduced density matrix (2-RDM)…

量子物理 · 物理学 2021-04-01 David A. Mazziotti

We discuss techniques of the density matrix renormalization group and their application to interacting fermion systems in more than one dimension. We show numerical results for equal--time spin--spin and singlet pair field correlation…

凝聚态物理 · 物理学 2007-05-23 R. M. Noack , S. R. White , D. J. Scalapino

A new efficient numerical algorithm for interacting fermion systems is proposed and examined in detail. The ground state is expressed approximately by a linear combination of numerically chosen basis states in a truncated Hilbert space. Two…

强关联电子 · 物理学 2007-05-23 Tsuyoshi Kashima , Masatoshi Imada

We review the properties of reduced density matrices for free fermionic or bosonic many-particle systems in their ground state. Their basic feature is that they have a thermal form and thus lead to a quasi-thermodynamic problem with a…

统计力学 · 物理学 2015-05-13 Ingo Peschel , Viktor Eisler

The nature of strongly interacting Fermi gases and magnetism is one of the most important and studied topics in condensed-matter physics. Still, there are many open questions. A central issue is under what circumstances strong short-range…

量子气体 · 物理学 2014-06-05 E. J. Lindgren , J. Rotureau , C. Forssén , A. G. Volosniev , N. T. Zinner
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