Converged quantum calculations of HO2 bound states and resonances for J=6 and 10

Bound and resonance states of HO2 are calculated quantum mechanically using both the Lanczos homogeneous filter diagonalization method and the real Chebyshev filter diagonalization method for nonzero total angular momentum J=6 and 10, using a parallel computing strategy. For bound states, agreement between the two methods is quite satisfactory; for resonances, while the energies are in good agreement, the widths are in general agreement. The quantum nonzero-J specific unimolecular dissociation rates for HO2 are also calculated. (C) 2004 American Institute of Physics.

Iterative quantum computations of HO2 bound states and resonances for J=4 and 5

Bound and resonance states of HO2 have been calculated by both the complex Lanczos homogeneous filter diagonalisation (LHFD) method(1,2) and the real Chebyshev filter diagonalisation method(3,4) for non-zero total angular momentum J = 4 and 5. For bound states, the agreement between the two methods is quite satisfactory; for resonances while the energies are in good agreement, the widths are only in general agreement. The relative performances of the two iterative FD methods have also been discussed in terms of efficiency as well as convergence behaviour for such a computationally challenging problem. A helicity quantum number Ohm assignment (within the helicity conserving approximation) is performed and the results indicate that Coriolis coupling becomes more important as J increases and the helicity conserving approximation is not a good one for the HO2 resonance states.

Coherent molecular bound states of bosons and fermions near a Feshback resonance

We analyze molecular bound states of atomic quantum gases near a Feshbach resonance. A simple, renormalizable field theoretic model is shown to have exact solutions in the two-body sector, whose binding energy agrees well with observed experimental results in both Bosonic and Fermionic cases. These solutions, which interpolate between BEC and BCS theories, also provide a more general variational ansatz for resonant superfluidity and related problems.

Unimolecular Rovibrational Bound and Resonance States for Large Angular Momentum: J=20 Calculations for HO2

We explore the calculation of unimolecular bound states and resonances for deep-well species at large angular momentum using a Chebychev filter diagonalization scheme incorporating doubling of the autocorrelation function as presented recently by Neumaier and Mandelshtam [Phys. Rev. Lett. 86, 5031 (2001)]. The method has been employed to compute the challenging J=20 bound and resonance states for the HO2 system. The methodology has firstly been tested for J=2 in comparison with previous calculations, and then extended to J=20 using a parallel computing strategy. The quantum J-specific unimolecular dissociation rates for HO2-> H+O-2 in the energy range from 2.114 to 2.596 eV have been reported for the first time, and comparisons with the results of Troe and co-workers [J. Chem. Phys. 113, 11019 (2000) Phys. Chem. Chem. Phys. 2, 631 (2000)] from statistical adiabatic channel method/classical trajectory calculations have been made. For most of the energies, the reported statistical adiabatic channel method/classical trajectory rate constants agree well with the average of the fluctuating quantum-mechanical rates. Near the dissociation threshold, quantum rates fluctuate more severely, but their average is still in agreement with the statistical adiabatic channel method/classical trajectory results.

Entangled subspaces and quantum symmetries

Entanglement is defined for each vector subspace of the tensor product of two finite-dimensional Hilbert spaces, by applying the notion of operator entanglement to the projection operator onto that subspace. The operator Schmidt decomposition of the projection operator defines a string of Schmidt coefficients for each subspace, and this string is assumed to characterize its entanglement, so that a first subspace is more entangled than a second, if the Schmidt string of the second majorizes the Schmidt string of the first. The idea is applied to the antisymmetric and symmetric tensor products of a finite-dimensional Hilbert space with itself, and also to the tensor product of an angular momentum j with a spin 1/2. When adapted to the subspaces of states of the nonrelativistic hydrogen atom with definite total angular momentum (orbital plus spin), within the space of bound states with a given total energy, this leads to a complete ordering of those subspaces by their Schmidt strings.

Quantum states far from the energy eigenstates of any local hamiltonian

What quantum states are possible energy eigenstates of a many-body Hamiltonian? Suppose the Hamiltonian is nontrivial, i.e., not a multiple of the identity, and L local, in the sense of containing interaction terms involving at most L bodies, for some fixed L. We construct quantum states psi which are far away from all the eigenstates E of any nontrivial L-local Hamiltonian, in the sense that parallel topsi-Eparallel to is greater than some constant lower bound, independent of the form of the Hamiltonian.

Entanglement measure for rank-2 mixed states

We provide an easily computable formula for a bipartite mixed-state entanglement measure. Our formula can be applied to readily calculate the entanglement for any rank-2 mixed state of a bipartite system. We use this formula to provide a tight upper bound for the entanglement of formation for rank-2 states of a qubit and a qudit. We also outline situations where our formula could be applied to study the entanglement properties of complex quantum systems.

Distillability of Werner states using entanglement witnesses and robust semidefinite programs

We use robust semidefinite programs and entanglement witnesses to study the distillability of Werner states. We perform exact numerical calculations that show two-undistillability in a region of the state space, which was previously conjectured to be undistillable. We also introduce bases that yield interesting expressions for the distillability witnesses and for a tensor product of Werner states with an arbitrary number of copies.