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Scattering phase shifts and annihilation rates for low-energy positrons interacting with noble gas atoms are calculated ab initio using many-body theory implemented in the Gaussian-orbital code EXCITON+. Specifically, we construct the positron–atom correlation potential (self-energy) as the sum of three classes of infinite series describing the screened polarization, virtual positronium formation, and positron-hole repulsion found via the solution of Bethe–Salpeter equations for the two-particle propagators. The normalization of the continuum states is determined using the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Phys. Rev. A 101, 022702 (2020)]. Comparison with the previous sophisticated B-spline many-body approach, which is restricted to atoms [J. Ludlow, D. G. Green, and G. F. Gribakin, Phys. Rev. A 90, 032712 (2014)], validates the EXCITON+ code, which can be used for multicentered targets including molecules, clusters, and condensed matter. Moreover, the relative effects of higher-order diagrams are quantified. It is found that the screening of the electron–positron Coulomb interaction represented by the infinite ring-diagram series (random-phase approximation) is compensated effectively by the additional electron-hole attraction corrections to it (the Bethe–Salpeter equation approximation) and that the use of the screened Coulomb interaction (screened at BSE level) in place of the bare Coulomb interaction in the virtual positronium and positron-hole ladder diagrams has negligible effect on both the phase shifts and Zeff. Our scattering length for Ne and Kr is in improved agreement with the convergent close-coupling result, and for Ar, the scattering length is in better agreement with the experiment compared with the previous B-spline many-body approach.

Land surface temperature (LST) in urban areas can be traditionally observed by thermal remote sensors. The increasing availability of 3D city models provides an alternative approach based on geospatial modeling. Using solar radiation tools and scripting in GRASS GIS, we have developed a physically-based LST model that can be used to estimate LST in urban areas represented by vector 3D city models. It uses standard input parameters such as solar irradiance, albedo or convection heat transfer coefficient for urban surfaces. The solar irradiance is estimated using the v.sun solar radiation add-on module in GRASS GIS. The LST values are calculated using map algebra operations using a Python script. The suggested methodology was applied to the study area in the city of Košice, Slovakia. Results indicate that urban morphology has a strong impact on spatial distribution of LST during the daylight hours. The accurate parameterization of urban surfaces can increase the accuracy of the model that can be used for urban planning, optimization of energy use in buildings or mitigation of urban heat island effects.

High-resolution solar radiation modelling requires the three-dimensional geometric structure of the landscape to be respected. Currently, remote sensing methods such as laser scanning and close-range photogrammetry are most commonly used for detailed mapping. The output is detailed 3D models containing buildings, trees, relief and other landscape features. The raster approach allows modeling solar energy for relief, but it is unsuitable for landscape objects such as buildings and trees. The polygonal features vector approach is mainly designed for buildings. Our goal is to create a freely available tool for highly detailed solar radiation modelling for geometrically complex 3D landscape objects. In the paper, we present a prototype of the v3.sun module. We propose a solution of solar radiation modeling designed for all landscape features based on TIN data structure. In the paper, tests of the proposed algorithmic solution for various types of 3D data obtained from the above-mentioned collection methods are demonstrated.

Urban greenery has various positive micro-climate effects including mitigation of heat islands. The primary root of heat islands in cities is in absorption of solar radiation by the mass of building structures, roads and other solid materials. The absorbed heat is subsequently re-radiated into the surroundings and increases ambient temperatures. The vegetation can stop and absorb most of incoming solar radiation mostly via the photosynthesis and evapotranspiration process. However, vegetation in mild climate of Europe manifests considerable annual seasonality which can also contribute to the seasonal change in the cooling effect of the vegetation on the urban climate. Modern methods of high-resolution mapping and new generations of sensors have brought opportunity to record the dynamics of urban greenery in a high resolution in spatial, spectral, and temporal domains. In this paper, we use the case study of the city of Košice in Eastern Slovakia to demonstrate the methodology of 3D mapping and modelling the urban greenery during one vegetation season in 2016. The purpose of this monitoring is to capture 3D effects of urban greenery on spatial distribution of solar radiation in urban environment. Terrestrial laser scanning was conducted on four selected sites within Košice in ultra-high spatial resolution. The entire study area, which included these four smaller sites, comprised 4 km2 of the central part of the city was flown within a single airborne lidar and photogrammetric mission to capture the upper parts of buildings and vegetation. The acquired airborne data were used to generate a 3D city model and the time series of terrestrial lidar data were integrated with the 3D city model. The results show that the terrestrial and airborne laser scanning techniques can be effectively used to monitor seasonal changes in foliage of trees in order to assess the transmissivity of the canopy for microclimate modelling.

The change of hydrological conditions during the evolution of caves in carbonate rocks often results in a complex subterranean geomorphology, which comprises specific landforms such as ceiling channels, anastomosing half tubes, or speleothems organized vertically in different levels. Studying such complex environments traditionally requires tedious mapping; however, this is being replaced with terrestrial laser scanning technology. Laser scanning overcomes the problem of reaching high ceilings, providing new options to map underground landscapes with unprecedented level of detail and accuracy. The acquired point cloud can be handled conveniently with dedicated software, but applying traditional geomorphometry to analyse the cave surface is limited. This is because geomorphometry has been focused on parameterization and analysis of surficial terrain. The theoretical and methodological concept has been based on two-dimensional (2-D) scalar fields, which are sufficient for most cases of the surficial terrain. The terrain surface is modelled with a bivariate function of altitude (elevation) and represented by a raster digital elevation model. However, the cave is a 3-D entity; therefore, a different approach is required for geomorphometric analysis. In this paper, we demonstrate the benefits of high-resolution cave mapping and 3-D modelling to better understand the palaeohydrography of the Domica cave in Slovakia. This methodological approach adopted traditional geomorphometric methods in a unique manner and also new methods used in 3-D computer graphics, which can be applied to study other 3-D geomorphological forms.

The energetic stability of positron-dianion systems [A-; e+; A-] is studied via many-body theory, where A- includes H-, F-, Cl-, and the molecular anions (CN)- and (NCO)-. Specifically, the energy of the system as a function of ionic separation is determined by solving the Dyson equation for the positron in the field of the two anions using a positron-anion self-energy as constructed in Hofierka et al. [Nature 606, 688 (2022)] that accounts for correlations, including polarization, screening, and virtual-positronium formation. Calculations are performed for a positron interacting with H22-, F22-, and Cl22- and are found to be in good agreement with previous theory. In particular, we confirm the presence of two minima in the potential energy of the [H-; e+; H-] system with respect to ionic separation: a positronically bonded [H-; e+; H-] local minimum at ionic separations r ∼ 3.4 Å and a global minimum at smaller ionic separations r ≲ 1.6 Å that gives overall instability of the system with respect to dissociation into a H2 molecule and a positronium negative ion, Ps-. The first predictions are made for positronic bonding in dianions consisting of molecular anionic fragments, specifically for (CN)22- and (NCO)22-. In all cases, we find that the molecules formed by the creation of a positronic bond are stable relative to dissociation into A- and e+A- (positron bound to a single anion), with bond energies on the order of 1 eV and bond lengths on the order of several ångstroms., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

The recently developed ab initio many-body theory of positron molecule binding [22J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)NATUAS0028-083610.1038/s41586-022-04703-3] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Model-potential calculations of positron binding, scattering, and annihilation for atoms and small molecules using a Gaussian basis, Phys. Rev. A 101, 022702 (2020)PLRAAN2469-992610.1103/PhysRevA.101.022702] to calculate positron scattering and annihilation rates on small molecules, namely H_{2}, N_{2}, and CH_{4}. The important effects of positron-molecule correlations are delineated. The method provides uniformly good results for annihilation rates on all the targets, from the simplest (H_{2}, for which only a sole previous calculation agrees with experiment), to larger targets, where high-quality calculations have not been available.

Positron binding to molecules is key to extremely enhanced positron annihilation and positron-based molecular spectroscopy 1 . Although positron binding energies have been measured for about 90 polyatomic molecules 1-6 , an accurate ab initio theoretical description of positron-molecule binding has remained elusive. Of the molecules studied experimentally, ab initio calculations exist for only six; these calculations agree with experiments on polar molecules to at best 25 per cent accuracy and fail to predict binding in nonpolar molecules. The theoretical challenge stems from the need to accurately describe the strong many-body correlations including polarization of the electron cloud, screening of the electron-positron Coulomb interaction and the unique process of virtual-positronium formation (in which a molecular electron temporarily tunnels to the positron) 1 . Here we develop a many-body theory of positron-molecule interactions that achieves excellent agreement with experiment (to within 1 per cent in cases) and predicts binding in formamide and nucleobases. Our framework quantitatively captures the role of many-body correlations and shows their crucial effect on enhancing binding in polar molecules, enabling binding in nonpolar molecules, and increasing annihilation rates by 2 to 3 orders of magnitude. Our many-body approach can be extended to positron scattering and annihilation γ-ray spectra in molecules and condensed matter, to provide the fundamental insight and predictive capability required to improve materials science diagnostics 7,8 , develop antimatter-based technologies (including positron traps, beams and positron emission tomography) 8-10 , and understand positrons in the Galaxy 11 ., (© 2022. The Author(s).)