Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate

Results obtained from four X-ray and five neutron data sets collected under a project sponsored by the Commission on Charge, Spin and Momentum Densities are analyzed by comparison of thermal parameters, positional parameters and X - N electron density maps. Three sets of theoretical calculations are also included in the comparison. Though several chemically significant features are reproduced in all the experimental density maps, differences in detail occur which caution against overinterpretation of the maps. Large differences between vibrational tensor elements Uij are observed which can often not be corrected by the scaling of all temperature parameters in a set. Positional parameters are reproducible to precisions of 0.001 Å or better. The biggest discrepancies between theoretical and experimental deformation density maps occurs in the lone-pair regions where peaks are higher in the theoretical maps. However, this comparison may be affected by inadequacies in the thermal-motion formalism which must be invoked before experimental and theoretical maps can be compared in a quantitative way

A correction procedure for the errors in single-crystal intensities due to the inhomogeneity of the primary X-ray beam

Graphite monochromators are known to give rise to non-homogeneous primary X-ray beams. When intensities of single crystals are measured the effective cross section of a non-spherical crystal in the X-ray beam depends on its orientation in the beam. Therefore, systematic errors in the measured integrated intensities are introduced by the inhomogeneity of the incoming beam. A correction for these errors can be made, knowing the intensity profile of the primary beam and the dimensions and orientation of the crystal in the beam. The correction can conveniently be applied with the absorption correction. Examples of the corrections are given for crystals with rational boundary planes. It is shown that the intensity of an X-ray reflection as a function of the rotation about the scattering vector ( rotation) can be calculated with fair accuracy. In some cases (large elongated crystals in an inhomogeneous beam) correction for absorption only may give results which are worse than those with no correction at all

Quantum Entanglement and Communication Complexity

We consider a variation of the multi-party communication complexity scenario where the parties are supplied with an extra resource: particles in an entangled quantum state. We show that, although a prior quantum entanglement cannot be used to simulate a communication channel, it can reduce the communication complexity of functions in some cases. Specifically, we show that, for a particular function among three parties (each of which possesses part of the function's input), a prior quantum entanglement enables them to learn the value of the function with only three bits of communication occurring among the parties, whereas, without quantum entanglement, four bits of communication are necessary. We also show that, for a particular two-party probabilistic communication complexity problem, quantum entanglement results in less communication than is required with only classical random correlations (instead of quantum entanglement). These results are a noteworthy contrast to the well-known fact that quantum entanglement cannot be used to actually simulate communication among remote parties.Comment: 10 pages, latex, no figure

Improved Error-Scaling for Adiabatic Quantum State Transfer

We present a technique that dramatically improves the accuracy of adiabatic state transfer for a broad class of realistic Hamiltonians. For some systems, the total error scaling can be quadratically reduced at a fixed maximum transfer rate. These improvements rely only on the judicious choice of the total evolution time. Our technique is error-robust, and hence applicable to existing experiments utilizing adiabatic passage. We give two examples as proofs-of-principle, showing quadratic error reductions for an adiabatic search algorithm and a tunable two-qubit quantum logic gate.Comment: 10 Pages, 4 figures. Comments are welcome. Version substantially revised to generalize results to cases where several derivatives of the Hamiltonian are zero on the boundar

Adiabatic quantum computation and quantum phase transitions

We analyze the ground state entanglement in a quantum adiabatic evolution algorithm designed to solve the NP-complete Exact Cover problem. The entropy of entanglement seems to obey linear and universal scaling at the point where the mass gap becomes small, suggesting that the system passes near a quantum phase transition. Such a large scaling of entanglement suggests that the effective connectivity of the system diverges as the number of qubits goes to infinity and that this algorithm cannot be efficiently simulated by classical means. On the other hand, entanglement in Grover's algorithm is bounded by a constant.Comment: 5 pages, 4 figures, accepted for publication in PR

Brain edema : a valid endpoint for measuring hepatic encephalopathy?

Hepatic encephalopathy (HE) is a major complication of liver failure/disease which frequently develops during the progression of end-stage liver disease. This metabolic neuropsychiatric syndrome involves a spectrum of symptoms, including cognition impairment, attention deficits and motor dysfunction which eventually can progress to coma and death. Pathologically, HE is characterized by swelling of the astrocytes which consequently leads to brain edema, a common feature found in patients with acute liver failure (ALF) as well as in cirrhotic patients suffering from HE. The pathogenic factors involved in the onset of astrocyte swelling and brain edema in HE are unresolved. However, the role of astrocyte swelling/brain edema in the development of HE remains ambiguous and therefore measuring brain edema as an endpoint to evaluate HE is questioned. The following review will determine the effect of astrocyte swelling and brain edema on neurological function, discuss the various possible techniques to measure brain edema and lastly to propose a number of neurobehavioral tests to evaluate HE

Self-reported domain-specific and accelerometer-based physical activity and sedentary behaviour in relation to psychological distress among an urban Asian population

Background: The interpretation of previous studies on the association of physical activity and sedentary behaviour with psychological health is limited by the use of mostly self-reported physical activity and sedentary behaviour, and a focus on Western populations. We aimed to explore the association of self-reported and devise-based measures of physical activity and sedentary behaviour domains on psychological distress in an urban multi-ethnic Asian population. Methods: From a population-based cross-sectional study of adults aged 18-79 years, data were used from an overall sample (n = 2653) with complete self-reported total physical activity/sedentary behaviour and domain-specific physical activity data, and a subsample (n = 703) with self-reported domain-specific sedentary behaviour and accelerometry data. Physical activity and sedentary behaviour data were collected using the Global Physical Activity Questionnaire (GPAQ), a domain-specific sedentary behaviour questionnaire and accelerometers. The Kessler Screening Scale (K6) and General Health Questionnaire (GHQ-12) were used to assess psychological distress. Logistic regression models were used to calculate odds ratios (ORs) and 95% confidence intervals, adjusted for socio-demographic and lifestyle characteristics. Results: The sample comprised 45.0% men (median age = 45.0 years). The prevalence of psychological distress based on the K6 and GHQ-12 was 8.4% and 21.7%, respectively. In the adjusted model, higher levels of self-reported moderate-to-vigorous physical activity (MVPA) were associated with significantly higher odds for K6 (OR = 1.47 [1.03-2.10]; p-trend = 0.03) but not GHQ-12 (OR = 0.97 [0.77-1.23]; p-trend = 0.79), when comparing the highest with the lowest tertile. Accelerometry-assessed MVPA was not significantly associated with K6 (p-trend = 0.50) nor GHQ-12 (p-trend = 0.74). The highest tertile of leisure-time physical activity, but not work- or transport-domain activity, was associated with less psychological distress using K6 (OR = 0.65 [0.43-0.97]; p-trend = 0.02) and GHQ-12 (OR = 0.72 [0.55-0.93]; p-trend = 0.01). Self-reported sedentary behaviour was not associated with K6 (p-trend = 0.90) and GHQ-12 (p-trend = 0.33). The highest tertile of accelerometry-assessed sedentary behaviour was associated with significantly higher odds for K6 (OR = 1.93 [1.00-3.75]; p-trend = 0.04), but not GHQ-12 (OR = 1.34 [0.86-2.08]; p-trend = 0.18). Conclusions: Higher levels of leisure-time physical activity and lower levels of accelerometer-based sedentary behaviour were associated with lower psychological distress. This study underscores the importance of assessing accelerometer-based and domain-specific activity in relation to mental health, instead of solely focusing on total volume of activity

Entanglement and non-locality are different resources

Bell's theorem states that, to simulate the correlations created by measurement on pure entangled quantum states, shared randomness is not enough: some "non-local" resources are required. It has been demonstrated recently that all projective measurements on the maximally entangled state of two qubits can be simulated with a single use of a "non-local machine". We prove that a strictly larger amount of this non-local resource is required for the simulation of pure non-maximally entangled states of two qubits $\ket{\psi(\alpha)}= \cos\alpha\ket{00}+\sin\alpha\ket{11}$ with $0<\alpha\lesssim\frac{\pi}{7.8}$.Comment: 8 pages, 3 figure

Neutrix Calculus and Finite Quantum Field Theory

In general, quantum field theories (QFT) require regularizations and infinite renormalizations due to ultraviolet divergences in their loop calculations. Furthermore, perturbation series in theories like QED are not convergent series, but are asymptotic series. We apply neutrix calculus, developed in connection with asymptotic series and divergent integrals, to QFT,obtaining finite renormalizations. While none of the physically measurable results in renormalizable QFT is changed, quantum gravity is rendered more manageable in the neutrix framework.Comment: 10 pages; LaTeX; version to appear in J. Phys. A: Math. Gen. as a Letter to the Edito