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We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…

Chemical Physics · Physics 2015-06-23 Ralph Gebauer , Morrel H. Cohen , Roberto Car

Two of the most widely used electronic structure theory methods, namely Hartree-Fock and Kohn-Sham density functional theory, both requires the iterative solution of a set of Schr\"odinger-like equations. The speed of convergence of such…

Chemical Physics · Physics 2024-06-06 S. Hazra , U. Patil , S. Sanvito

Many quantum information measures can be written as an optimization of the quantum relative entropy between sets of states. For example, the relative entropy of entanglement of a state is the minimum relative entropy to the set of separable…

Quantum Physics · Physics 2018-08-09 Hamza Fawzi , Omar Fawzi

We study quantum information masking of arbitrary dimensional states. Given a set of fixed reducing pure states, we study the linear combinations of them, such that they all have the same marginal states with the given ones. We define the…

Quantum Physics · Physics 2021-10-01 Bao-Zhi Sun , Shao-Ming Fei , Xianqing Li-Jost

We investigate whether the presence or absence of correlations between subsystems of an N-partite quantum system is solely constrained by the non-negativity and monotonicity of mutual information. We argue that this relatively simple…

How much information a fermionic state contains? To address this fundamental question, we define the complexity of a particle-conserving many-fermion state as the entropy of its Fock space probability distribution, minimized over all Fock…

Quantum Physics · Physics 2024-03-06 Tuomas I. Vanhala , Teemu Ojanen

We establish a procedure to find the extremal density matrices for any finite Hamiltonian of a qudit system. These extremal density matrices provide an approximate description of the energy spectra of the Hamiltonian. In the case of…

An explicit expression is derived for the statistical description of small quantum systems, which are relatively-weakly and directly coupled to only small parts of their environments. The derived expression has a canonical form, but is…

Quantum Physics · Physics 2015-06-05 Wen-ge Wang

We consider the problem of determining the spatial phase profile of a single-mode electromagnetic field. Our attention is on input states that are a statistical mixture of displaced and squeezed number states, a superset of Gaussian states.…

Optics · Physics 2024-07-09 Jacob Trzaska , Amit Ashok

We consider the problem of characterizing states of a multipartite quantum system from restricted, quasi-local information, with emphasis on uniquely determined pure states. By leveraging tools from dissipative quantum control theory, we…

Quantum Physics · Physics 2019-06-19 Salini Karuvade , Peter D. Johnson , Francesco Ticozzi , Lorenza Viola

Multipartite quantum states that cannot be uniquely determined by their reduced states of all proper subsets of the parties exhibit some inherit `high-order' correlation. This paper elaborates this issue by giving necessary and sufficient…

Quantum Physics · Physics 2008-08-29 Yuan Feng , Runyao Duan , Mingsheng Ying

For two qubits and for general bipartite quantum systems, we give a simple spectral condition in terms of the ordered eigenvalues of the density matrix which guarantees that the corresponding state is separable.

Quantum Physics · Physics 2009-11-13 M. E. Gabach Clement , G. A. Raggio

Spectroscopic labels for a few particles with spin that are harmonically trapped in one-dimension with effectively zero-range interactions are provided by quantum numbers that characterize the symmetries of the Hamiltonian: permutations of…

Quantum Physics · Physics 2014-05-28 N. L. Harshman

We introduce generalized versions of complex Scarf and Morse-type potentials that con- tain energy-dependent parameters. PT -symmetry and pseudo-hermiticity of the associated quantum systems are discussed, and a modified orthogonality…

Mathematical Physics · Physics 2017-04-26 Axel Schulze-Halberg , Pinaki Roy

The solutions of the Wigner-transformed time-dependent Hartree--Fock--Bogoliubov equations are studied in the constant-$\Delta$ approximation. This approximation is known to violate particle-number conservation. As a consequence, the…

Nuclear Theory · Physics 2008-11-26 V. I. Abrosimov , D. M. Brink , A. Dellafiore , F. Matera

A uniform derivation is presented of the self-consistent field equations in a finite basis set. Both restricted and unrestricted Hartree-Fock (HF) theory as well as various density functional (DF) approximations are considered. The unitary…

Computational Physics · Physics 2020-03-10 Susi Lehtola , Frank Blockhuys , Christian Van Alsenoy

We investigate the entanglement properties of pure quantum states describing $n$ qubits. We characterize all multipartite states which can be maximally entangled to local auxiliary systems using controlled operations. A state has this…

Quantum Physics · Physics 2013-05-29 C. Kruszynska , B. Kraus

A new application of quantum field theory is developed that gives a description of the internal dynamics of dressed elementary particles and predicts their masses. The fermionic and bosonic quantum fields are treated as interdependent…

General Physics · Physics 2012-08-28 J. M. Greben

The well-known Schmidt decomposition, or equivalently, the complex singular value decomposition, states that a pure quantum state of a bipartite system can always be brought into a "diagonal" form using local unitary transformations. In…

Quantum Physics · Physics 2024-01-17 Emanuel Malvetti

We investigate the equilibration of an isolated macroscopic quantum system in the sense that deviations from a steady state become unmeasurably small for the overwhelming majority of times within any sufficiently large time interval. The…

Statistical Mechanics · Physics 2012-04-20 Peter Reimann , Michael Kastner