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Cross sections for electron impact excitation of the b 3Sigma(+)u state of H2 - An application of the Schwinger multichannel variational method

In this and the two accompanying letters, the results of calculations of the cross sections for electron impact excitation of the b 3Sigma(+)u state of H2, for collision energies from near threshold to 30 eV, are presented. These results are obtained using a multichannel extension of the Schwinger variational principle at the two-state level. The quantitative agreement between the integral cross sections of these three studies is very good. Inclusion of correlation terms in the scattering wavefunctions, which relax the orthogonality between bound and continuum orbitals, is seen to affect the cross sections substantially. Although a comparison of these calculated cross sections with available experimental data is encouraging, some seious discrepancies exist.

Lima, M. A. P.

A scalable variational method for estimating the latent infection-rate field of an outbreak

In this paper, we explore whether the infection-rate of a disease can serve as a robust monitoring variable in epidemiological surveillance algorithms. The infection-rate is dependent on population mixing patterns that do not vary erratically day-to-day; in contrast, daily case-counts used in contemporary surveillance algorithms are corrupted by reporting errors. The technical challenge lies in estimating the latent infection-rate from case-counts. Here we devise a Bayesian method to estimate the infection-rate across multiple adjoining areal units, and then use it, via an anomaly detector, to discern a change in epidemiological dynamics. We extend an existing model for estimating the infection-rate in an areal unit by incorporating a Markov random field model, so that we may estimate infection-rates across multiple areal units, while preserving spatial correlations observed in the epidemiological dynamics. To carry out the high-dimensional Bayesian inverse problem, we develop an implementation of mean-field variational inference specific to the infection model and integrate it with the random field model to incorporate correlations across counties. The method is tested on estimating the COVID-19 infection-rates across all 33 counties in New Mexico using data from the summer of 2020, and then employing them to detect the arrival of the Fall 2020 COVID-19 wave. We perform the detection using a temporal algorithm that is applied county-by-county. We also show how the infection-rate field can be used to cluster counties with similar epidemiological dynamics.

60 APPLIED LIFE SCIENCES

A variational method for the calculation of dynamic polarizabilities and two-photon transition moments - The dressed molecule approach

The solution of the time-dependent Schroedinger equation of the molecule + radiation field system is analyzed. A quantized radiation field is used. The relationship between the oscillatory wave function and the dressed state wave function is established, the oscillatory wave function being the solution if the radiation field is turned on at t = 0 and the dressed state being the stationary solution satisfying the boundary condition only if the field is present at t = negative infinity. In general, the oscillatory wave function can be expressed using a complete set of dressed states. However, in the presence of a nonresonant radiation field, the system is well represented by a single dressed state. Molecular properties such as dynamic polarizabilities and two-photon transition moments can be deduced from the dressed state wave function instead of the oscillatory wave function as in previous methods. Because of its stationary character, the dressed state is more amenable to approximate calculations. A CI method is developed for this purpose. The CI matrix is simple in form and can be readily constructed using existing computer codes. The present method can also be adapted to calculate other optical properties.

Huo, W. M.

A Variational Method to Retrieve the Extinction Profile in Liquid Clouds Using Multiple Field-of-View Lidar

While liquid clouds playa very important role in the global radiation budget, it's been very difficult to remotely determine their internal cloud structure. Ordinary lidar instruments (similar to radars but using visible light pulses) receive strong signals from such clouds, but the information is limited to a thin layer near the cloud boundary. Multiple field-of-view (FOV) lidars offer some new hope as they are able to isolate photons that were scattered many times by cloud droplets and penetrated deep into a cloud before returning to the instrument. Their data contains new information on cloud structure, although the lack of fast simulation methods made it challenging to interpret the observations. This paper describes a fast new technique that can simulate multiple-FOV lidar signals and can even estimate the way the signals would change in response to changes in cloud properties-an ability that allows quick refinements in our initial guesses of cloud structure. Results for a hypothetical airborne three-FOV lidar suggest that this approach can help determine cloud structure for a deeper layer in clouds, and can reliably determine the optical thickness of even fairly thick liquid clouds. The algorithm is also applied to stratocumulus observations by the 8-FOV airborne "THOR" lidar. These tests demonstrate that the new method can determine the depth to which a lidar provides useful information on vertical cloud structure. This work opens the way to exploit data from spaceborne lidar and radar more rigorously than has been possible up to now.

Pounder, Nicola L.