Search results for " density matrix"
showing 10 items of 17 documents
Long-range interactions and the sign of natural amplitudes in two-electron systems
2013
In singlet two-electron systems the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the expansion coefficients of the two-electron wave function in a natural orbital basis. In this work we relate the sign of the natural amplitudes to the nature of the two-body interaction. We show that long-range Coulomb-type interactions are responsible for the appearance of positive amplitudes and give both analytical and numerical examples that illustrate how the long-distance structure of the wave function affects these amplitudes. We further demonstrate that the amplitudes show an avoided crossing behavior as func…
Estimation of the Repeatedly-Projected Reduced Density Matrix under Decoherence
2007
Decoherence is believed to deteriorate the ability of a purification scheme that is based on the idea of driving a system to a pure state by repeatedly measuring another system in interaction with the former and hinder for a pure state to be extracted asymptotically. Nevertheless, we find a way out of this difficulty by deriving an analytic expression of the reduced density matrix for a two-qubit system immersed in a bath. It is shown that we can still extract a pure state if the environment brings about only dephasing effects. In addition, for a dissipative environment, there is a possibility of obtaining a dominant pure state when we perform a finite number of measurements.
Duality of reduced density matrices and their eigenvalues
2014
For states of quantum systems of N particles with harmonic interactions we prove that each reduced density matrix ρ obeys a duality condition. This condition implies duality relations for the eigenvalues λk of ρ and relates a harmonic model with length scales ${{\ell }_{1}},{{\ell }_{2}},\ldots ,{{\ell }_{N}}$ with another one with inverse lengths $1/{{\ell }_{1}},1/{{\ell }_{2}},\ldots ,1/{{\ell }_{N}}$. Entanglement entropies and correlation functions inherit duality from ρ. Self-duality can only occur for noninteracting particles in an isotropic harmonic trap.
Symmetric-group approach to the study of the traces ofp-order reduced-density operators and of products of these operators
1990
In this work we give the values of traces of p-order reduced-density operators. These traces are obtained by application of the spin functions and of the symmetric-group properties. The relations obtained here will allow an easy and fast evaluation of the high-order spin-adapted reduced Hamiltonian matrix elements and high-order Hamiltonian moments.
Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory
2018
We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential $\Omega [\mathbf{G}]$ regarded as variational functional of the Green's function $G$ based on diagrammatic many-body perturbation theory and for which we consider either the Klein or Luttinger-Ward form. By restricting the input Green's function to be one-to-one related to a set on one-particle reduced density matrices (1RDM) this functional becomes a functional of the 1RDM. To establish the one-to-one mapping we use that, at any finite temperature and for a given 1RDM $\…
Meaning and magnitude of the reduced density matrix cumulants
2012
Abstract Within the framework of a generalized normal ordering (GNO), invented by Mukherjee [1] , the reduced density matrix cumulants of the (multiconfigurational) reference wave function play a central role, as they arise directly from the contraction rules. The extended Wick theorem allows contractions of an arbitrary number of active annihilators and creators through a cumulant of corresponding rank. Because the cumulant rank truncates naturally only at the number of active spin orbitals, practical applications of the GNO concept seem to rely on a fast convergence of the cumulant series, allowing one to neglect cumulants with high rank. By computing cumulant norms for selected systems (…
Integral-geometrical consideration of density matrices
1995
The ensemble N-representability problem for the k-th order reduced density matrix (k-RDM) as well as the problem of reconstruction of the N-particle system density matrices (N-DM) from a given k-RDM are studied. The spatial parts of the k-RDM expansion in terms of spin tensorial operators {Theta}{sub {lambda}} are represented using particular values (at specially chosen {Xi} = {Xi}{sub o}) of the Radon transform D{sub N{lambda}} D{sub N{lambda}}({Xi}) of the N-DM spatial parts (or their sums) D{sub N{lambda}}({chi}{prime}{vert_bar}{chi}{double_prime}) (here, {Xi} is a d-plane in the n-space {Re}{double_prime} of {chi} = ({chi}{prime}, {chi}{double_prime}), with n = 6N, d = 3(N - k), {chi}{p…
Measurement of spin-orbital angular momentum interactions in relativistic heavy-ion collisions
2020
The first evidence of spin alignment of vector mesons ($K^{*0}$ and $\phi$) in heavy-ion collisions at the Large Hadron Collider (LHC) is reported. The spin density matrix element $\rho_{00}$ is measured at midrapidity ($|y| <$ 0.5) in Pb-Pb collisions at a center-of-mass energy ($\sqrt{s_{\rm NN}}$) of 2.76 TeV with the ALICE detector. $\rho_{00}$ values are found to be less than 1/3 (1/3 implies no spin alignment) at low transverse momentum ($p_{\rm T} <$ 2 GeV/$c$) for $K^{*0}$ and $\phi$ at a level of 3$\sigma$ and 2$\sigma$, respectively. No significant spin alignment is observed for the $K^0_S$ meson (spin = 0) in Pb-Pb collisions and for the vector mesons in $pp$ collisions. The meas…
N-qubit states as points on the Bloch sphere
2009
We show how the Majorana representation can be used to express the pure states of an N-qubit system as points on the Bloch sphere. We compare this geometrical representation of N-qubit states with an alternative one, proposed recently by the present authors.
Time-Dependent Reduced Density Matrix Functional Theory
2012
In this chapter we will give an introduction into one-body reduced density matrix functional theory (RDMFT). This is a rather new method to deal with the quantum many-body problem. Especially the development of a time-dependent version, TDRDMFT , is very recent. Therefore, there are many open questions and the formalism has not crystalized yet into a standard form such as in (TD)DFT. Although RDMFT has similarities with DFT, there are many more differences. This chapter is too short for a full introduction into the wondrous world of RDMFT, but we hope to give an idea what (TD)RDMFT might bring.