Entanglement and nonclassicality for multimode radiation-field states

Nonclassicality in the sense of quantum optics is a prerequisite for entanglement in multimode radiation states. In this work we bring out the possibilities of passing from the former to the latter, via action of classicality preserving systems like beam splitters, in a transparent manner. For single-mode states, a complete description of nonclassicality is available via the classical theory of moments, as a set of necessary and sufficient conditions on the photon number distribution. We show that when the mode is coupled to an ancilla in any coherent state, and the system is then acted upon by a beam splitter, these conditions turn exactly into signatures of negativity under partial transpose (NPT) entanglement of the output state. Since the classical moment problem does not generalize to two or more modes, we turn in these cases to other familiar sufficient but not necessary conditions for nonclassicality, namely the Mandel parameter criterion and its extensions. We generalize the Mandel matrix from one-mode states to the two-mode situation, leading to a natural classification of states with varying levels of nonclassicality. For two-mode states we present a single test that can, if successful, simultaneously show nonclassicality as well as NPT entanglement. We also develop a test for NPT entanglement after beam-splitter action on a nonclassical state, tracing carefully the way in which it goes beyond the Mandel nonclassicality test. The result of three-mode beam-splitter action after coupling to an ancilla in the ground state is treated in the same spirit. The concept of genuine tripartite entanglement, and scalar measures of nonclassicality at the Mandel level for two-mode systems, are discussed. Numerous examples illustrating all these concepts are presented.

Monte Carlo simulation of low temperature phase diagrams of YBa2Cu3O6+x

We report the results of Monte Carlo simulation of oxygen ordering in the oxygen deficient portion (x<0.5) of YBa2Cu3O6+x at low temperatures. We find qualitative agreement among cluster - variation, Monte Carlo and transfer matrix methods. However, low temperature and ground state simulations clearly indicate the presence of a tetragonal phase. There is also evidence for two second order phase transition lines separating the tetragonal and the �double cell� ortho II phase. The effect of decreasing the inter-chain repulsion on oxygen ordering has also been investigated.

Novel correlations in two dimensions: Some exact solutions

We construct a new many-body Hamiltonian with two- and three-body interactions in two space dimensions and obtain its exact many-body ground state for an arbitrary number of particles. This ground state has a novel pairwise correlation. A class of exact solutions for the excited states is also found. These excited states display an energy spectrum similar to the Calogero-Sutherland model in one dimension. The model reduces to an analog of the well-known trigonometric Sutherland model when projected on to a circular ring.

Density-matrix renormalization-group studies of the spin-1/2 Heisenberg system with dimerization and frustration

Using the density-matrix renormalization-group technique, we study the ground-state phase diagram and other low-energy properties of an isotropic antiferromagnetic spin-1/2 chain with both dimerization and frustration, i.e., an alternation delta of the nearest-neighbor exchanges and a next-nearest-neighbor exchange J(2). For delta = 0, the system is gapless for J(2) < J(2c) and has a gap for J(2) > J(2c) where J(2c) is about 0.241. For J(2) = J(2c) the gap above the ground state grows as delta to the power 0.667 +/- 0.001. In the J(2)-delta plane, there is a disorder line 2J(2) + delta = 1. To the left of this line, the peak in the static structure factor S(q) is at q(max) = pi (Neel phase), while to the right of the line, q(max) decreases from pi to pi/2 as J(2) is increased to large values (spiral phase). For delta = 1, the system is equivalent to two coupled chains as on a ladder and it is gapped for all values of the interchain coupling.

SCF and electron correlation studies on structure, force constants and vibrational spectra of borane monoammoniate complex

Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibrational spectra of BH3NH3 have been studied. A series of basis sets ranging from double zeta to triple zeta including polarization and diffuse functions have been utilized. All the SCF based calculations overestimate the dative B-N bond distance and considerable improvement occurs when the treatment for electron correlation is introduced. Detailed vibrational analysis for BH3NH3 has been carried out. The mean absolute percentage deviation of the ab initio predicted vibration frequencies of (BH3NH3)-B-11 from the experiment is about 10% for the SCF based calculations and the MP2 method shows better agreement, the overall deviation being 5-6%. The ground state effective force constants of BH3NH3 were obtained using RECOVES procedure. The RECOVES sets of force constants are found to be highly satisfactory for the prediction of the vibrational frequencies of different isotopomers of BH3NH3. The mean absolute percentage deviation of the calculated frequencies of different isotopomers from the experiment is much less than 1%. The RECOVES-MP2/augDZP set of force constants was found to be the best set among the different sets for this molecule. Theoretical infrared intensities are in fair agreement with the observed spectral features.

Mott insulator high T-c bipolaronic superconductor transition in cuprates - Discussion

All ‘undoped’ cuprates are antiferromagnetic Mott insulators. We argue that with doping they remain to be insulators including the ‘overdoped’ samples. Hence, there is no clear dividing line between non–metallic cuprates and high–temperature superconductors. Based on the generic Hamiltonian including the electron–phonon interaction and the direct Coulomb repulsion the ground state of doped cuprates is shown to be a charged 2e Bose liquid of small bipolarons. A theory of the normal state transport of copper oxides is developed. The temperature dependence of the resistivity and of the Hall effect agrees remarkably well with the experimental data in La2–xSrxCuO4 for the entire temperature regime including unusual ‘logarithmic’ low–temperature region. The violation of Kohler's rule in magnetoresistivity is explained. The resistive and thermodynamic superconducting transitions in a magnetic field are quantitatively described.

Chopped nonlinear magneto-optic rotation: A technique for precision measurements

We have developed a technique for precise measurement of small magnetic fields using nonlinear magneto-optic rotation (NMOR). The technique relies on the resonant laser beam being chopped. During the on time, the atoms are optically pumped into an aligned ground state (Delta m=2 coherence). During the off time, they freely precess around the magnetic field at the Larmor frequency. If the on-off modulation frequency matches (twice) the Larmor precession frequency, the rotation is resonantly enhanced in every cycle, thereby making the process like a repeated Ramsey measurement of the Larmor frequency. We study chopped-NMOR in a paraffin-coated Cs vapor cell. The out-of-phase demodulated rotation shows a Lorentzian peak of linewidth 85 mu G, corresponding to a sensitivity of 0.15nG/root Hz. We discuss the potential of this technique for the measurement of an atomic electric-dipole moment. Copyright (C) EPLA, 2011

Spin distributions in antiferromagnetically coupled Mn2+Cu2+ systems: from the pair to the infinite chain

Probably the most informative description of the ground slate of a magnetic molecular species is provided by the spin density map. Such a map may be experimentally obtained from polarized neutron diffraction (PND) data or theoretically calculated using quantum chemical approaches. Density functional theory (DFT) methods have been proved to be well-adapted for this. Spin distributions in one-dimensional compounds may also be computed using the density matrix renormalization group (DMRG) formalism. These three approaches, PND, DFT, and DMRG, have been utilized to obtain new insights on the ground state of two antiferromagnetically coupled Mn2+Cu2+ compounds, namely [Mn(Me-6-[14]ane-N-4)Cu(oxpn)](CF3SO3)(2) and MnCu(pba)(H2O)(3) . 2H(2)O, with Me-6-[14]ane-N-4 = (+/-)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, oxpn = N,N'-bis(3-aminopropyl)oxamido and pba = 1,3-propylenebis(oxamato). Three problems in particular have been investigated: the spin distribution in the mononuclear precursors [Cu(oxpn)] and [Cu(pba)](2-), the spin density maps in the two Mn2+Cu2+ compounds, and the evolution of the spin distributions on the Mn2+ and Cu2+ sites when passing from a pair to a one-dimensional ferrimagnet.

Magnetization properties of some quantum spin ladders

The experimental realization of various spin ladder systems has prompted their detailed theoretical investigations. Hen we study the evolution of ground-state magnetization with an external magnetic field for two different antiferromagnetic systems: a three-legged spin-1/2 ladder, and a two-legged spin-1/2 ladder with an additional diagonal interaction. The finite system density-matrix renormalization-group method is employed for numerical studies of the three-chain system, and an effective low-energy Hamiltonian is used in the limit of strong interchain coupling to study the two- and three-chain systems. The three-chain system has a magnetization plateau at one-third of the saturation magnetization. The two-chain system has a plateau at zero magnetization due to a gap above the singlet ground state. It also has a plateau at half of the saturation magnetization for a certain range of values of the couplings. We study the regions of transitions between plateaus numerically and analytically, and find that they are described, at first order in a strong-coupling expansion, by an XXZ spin-1/2 chain in a magnetic field; the second-order terms give corrections to the XXZ model, We also study numerically some low-temperature properties of the three-chain system, such as the magnetization, magnetic susceptibility and specific heat. [S0163-1829(99)303001-5].

Metal-insulator transition in a degenerate Hubbard model

We have studied the metal-insulator transition at integer fillings in a triply degenerate Hubbard model using the Lanczos method. The critical Coulomb interaction strength U-c, is found to depend strongly on the band filling, with U-c similar to root 3 W (W is the bandwidth) at half filling for this case with threefold degeneracy. We discuss the implications of our results on metal-insulator transitions in strongly correlated systems in general, and on the unusual electronic ground state of the alkali-metal-doped fullerenes, in particular. [S0163-1829(99)11003-8].

Structure-reactivity correlations of excited states of perfluorinated compounds: A time resolved Raman study

This paper reports the TR3 spectral studies on perfluorinated organic systems with the objective to understand the influence of perfluorination on the excited states. We have recorded the TR3 spectra and Raman excitation profiles of the triplet excited states of decafluorobenzophenone and fluoranil. It is found that the influence of perfluorination is more pronounced in the triplet excited state than the ground state and thus leads to enhanced reactivity for perfluorinated compounds through larger structural distortions.

Superconductivity from repulsion: a variational view

This letter presents a new class of variational wavefunctions for Fermi systems in any dimension. These wavefunctions introduce correlations between Cooper pairs in different momentum states and the relevant correlations can be computed analytically. At half filling we have a ground state with critical superconducting correlations, that causes negligible increase of the kinetic energy. We find large enhancements in a Cooper-pair correlation function caused purely by the interplay between the uncertainty principle, repulsion and the proximity of half filling. This is surprising since there is no accompanying signature in usual charge and spin response functions, and typifies a novel kind of many-body cooperative behaviour.

Zero-point entropy in 'spin ice'

Common water ice (ice I-h) is an unusual solid-the oxygen atoms form a periodic structure but the hydrogen atoms are highly disordered due to there being two inequivalent O-H bond lengths'. Pauling showed that the presence of these two bond lengths leads to a macroscopic degeneracy of possible ground states(2,3), such that the system has finite entropy as the temperature tends towards zero. The dynamics associated with this degeneracy are experimentally inaccessible, however, as ice melts and the hydrogen dynamics cannot be studied independently of oxygen motion(4). An analogous system(5) in which this degeneracy can be studied is a magnet with the pyrochlore structure-termed 'spin ice'-where spin orientation plays a similar role to that of the hydrogen position in ice I-h. Here we present specific-heat data for one such system, Dy2Ti2O7, from which we infer a total spin entropy of 0.67Rln2. This is similar to the value, 0.71Rln2, determined for ice I-h, SO confirming the validity of the correspondence. We also find, through application of a magnetic field, behaviour not accessible in water ice-restoration of much of the ground-state entropy and new transitions involving transverse spin degrees of freedom.

Density-matrix renormalization-group study of low-lying excitations of polyacene within a Pariser-Parr-Pople model

We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.

Investigation of short-time isomerization dynamics in p-nitroazobenzene from resonance Raman intensity analysis

Resonance Raman (RR) spectra are presented for p-nitroazobenzene dissolved in chloroform using 18 excitation Wavelengths, covering the region of (1)(n --> pi*) electronic transition. Raman intensities are observed for various totally symmetric fundamentals, namely, C-C, C-N, N=N, and N-O stretching vibrations, indicating that upon photoexcitation the excited-state evolution occurs along all of these vibrational coordinates. For a few fundamentals, interestingly, in p-nitroazobenzene, it is observed that the RR intensities decrease near the maxima of the resonant electronic (1)(n --> pi*) transition. This is attributed to the interference from preresonant scattering due to the strongly allowed (1)(pi --> pi*) electronic transition. The electronic absorption spectrum and the absolute Raman cross section for the nine Franck-Condon active fundamentals of p-nitroazobenzene have been successfully modeled using Heller's time-dependent formalism for Raman scattering. This employs harmonic description of the lowest energy (1)(n --> pi*) potential energy surface. The short-time isomerization dynamics is then examined from a priori knowledge of the ground-state normal mode descriptions of p-nitroazobenzene to convert the wave packet motion in dimensionless normal coordinates to internal coordinates. It is observed that within 20 fs after photoexcitation in p-nitroazobenzene, the N=N and C-N stretching vibrations undergo significant changes and the unsubstituted phenyl ring and the nitro stretching vibrations are also distorted considerably.