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The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…

Strongly Correlated Electrons · Physics 2023-09-13 G. Catarina , Bruno Murta

The variational two-electron reduced density matrix (v2RDM) method is generalized for the description of total angular momentum ($J$) and projection of total angular momentum ($M_{J}$) states in atomic systems described by non-relativistic…

Chemical Physics · Physics 2022-08-05 Run R. Li , Nicholas C. Rubin , A. Eugene DePrince

For many-electron systems, the second-order reduced density matrix (2-RDM) provides sufficient information for characterizing their properties of interests in physics and chemistry, ranging from total energy, magnetism, quantum correlation…

Quantum Physics · Physics 2021-05-12 Yimin Li

Recently, it has been shown, that the pair density of the homogeneous electron gas can be parametrized in terms of 2-body wave functions (geminals), which are scattering solutions of an effective 2-body Schr\"odinger equation. For the…

Strongly Correlated Electrons · Physics 2015-10-28 P. Ziesche , F. Tasnadi

The $N$-representability problem places fundamental constraints on reduced density matrices (RDMs) that originate from physical many-fermion quantum states. Motivated by recent developments in functional theories, we introduce a hierarchy…

Quantum Physics · Physics 2026-04-28 Julia Liebert , Anna O. Schouten , Irma Avdic , Christian Schilling , David A. Mazziotti

This paper reports a detailed description of the equivalent linear two-body method for the many body problem, which is based on an approximate reduction of the many-body Schroedinger equation by the use of a variational principle. To test…

Condensed Matter · Physics 2009-10-31 Yeong E. Kim , Alexander L. Zubarev

We reduce two-body problem to the one-body problem in general case of deformed Heisenberg algebra leading to minimal length.Two-body problems with delta and Coulomb-like interactions are solved exactly. We obtain analytical expression for…

Quantum Physics · Physics 2018-01-17 M. I. Samar , V. M. Tkachuk

We use Dirac's constraint dynamics to obtain a Hamiltonian formulation of the relativistic N-body problem in a separable two-body basis in which the particles interact pair-wise through scalar and vector interactions. The resultant N-body…

Nuclear Theory · Physics 2009-11-06 Cheuk-Yin Wong , Horace W. Crater

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body…

This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…

Chemical Physics · Physics 2024-09-04 James C. Ellenbogen

We provide a solution to the v-representability problem for a non-relativistic quantum many-particle system on a ring domain in terms of Sobolev spaces and their duals. Any one-particle density that is square-integrable, has a…

The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…

Strongly Correlated Electrons · Physics 2025-04-07 Anna O. Schouten , Simon Ewing , David A. Mazziotti

Solving for the lowest energy eigenstate of the many-body Schrodinger equation is a cornerstone problem that hinders understanding of a variety of quantum phenomena. The difficulty arises from the exponential nature of the Hilbert space…

We recently presented a constructive solution to the N-representability problem of the two-electron reduced density matrix (2-RDM)---a systematic approach to constructing complete conditions to ensure that the 2-RDM represents a realistic…

Chemical Physics · Physics 2012-07-04 David A. Mazziotti

We study the three-body Coulomb problem in two dimensions and show how to calculate very accurately its quantum properties. The use of a convenient set of coordinates makes it possible to write the Schr\"{o}dinger equation only using…

Quantum Physics · Physics 2009-11-07 L. Hilico , B. Grémaud , T. Jonckheere , N. Billy , D. Delande

Excited-state properties of highly correlated systems are key to understanding photosynthesis, luminescence, and the development of novel optical materials, but accurately capturing their interactions is computationally costly. We present…

Quantum Physics · Physics 2024-08-21 Irma Avdic , David A. Mazziotti

Classical shadow tomography offers a scalable route to estimating properties of quantum states, but the resulting reduced density matrices (RDMs) often violate constraints that ensure they represent $N$-electron states -- known as…

The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger…

We consider density matrices which are sums of projectors on states spanning irreducible representations of the permutation group of L sites (eigenstates of permutational invariant quantum system with L sites) and construct the reduced…

Quantum Physics · Physics 2009-11-20 Mario Salerno , Vladislav Popkov

The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…

Chemical Physics · Physics 2024-06-19 Run R. Li , Marcus D. Liebenthal , A. Eugene DePrince