We report on the application of the relativistic convergent close-coupling method to electron scattering from silver atoms. Differential and integrated cross sections are presented for elastic scattering and excitation to a number of low-lying excited states for energies ranging from 0.1 to 200 eV. The total and ionisation cross sections and elastic spin asymmetry parameters are also presented, and we find potentially large relativistic effects for elastic scattering at low energies. The results are compared with experiments where available, and somewhat variable agreement is found.

We present two methods for computing the Rayleigh and Raman scattering cross sections for photon scattering on atomic hydrogen, or hydrogen like systems. Both methods are applicable for incident photon energies above the ionization threshold. The first method implements the well known Gaussian quadrature approach to deal with principle value integration, and relies on evaluation of the exact eigenfunctions of hydrogen. The second, more computationally efficient approach, uses a finite L 2 basis expansion of the target, and applies complex exterior scaling methods to accurately account for the contribution of the intermediate continuum states. This method is much more general in that it does not rely on analytic solutions to the Hamiltonian, nor evaluation of any special functions, and is expected to be applicable to more complex systems where exact wavefunctions are cumbersome to evaluate. Both methods are in complete agreement with previous work based on analytical representations of the Green's function or the dipole matrix elements. Rayleigh, Raman, and photoionization cross sections for scattering on the first few excited states of atomic hydrogen are presented and compared with previous results where available.

Two computational methods developed recently [McNamara, Fursa, and Bray, Phys. Rev. A 98, 043435 (2018)] for calculating Rayleigh and Raman scattering cross sections for atomic hydrogen have been extended to quasi one-electron systems. A comprehensive set of cross sections have been obtained for the alkali atoms: lithium, sodium, potassium, rubidium, and cesium. These cross sections are accurate for incident photon energies above and below the ionization threshold, but they are limited to energies below the excitation threshold of core electrons. The effect of spin-orbit interaction, importance of accounting for core polarization, and convergence of the cross sections have been investigated.

Objective: This paper reports on the implementation and shows examples of the use of the ProTheRaMon framework for simulating the delivery of proton therapy treatment plans and range monitoring using positron emission tomography (PET). ProTheRaMon offers complete processing of proton therapy treatment plans, patient CT geometries, and intra-treatment PET imaging, taking into account therapy and imaging coordinate systems and activity decay during the PET imaging protocol specific to a given proton therapy facility. We present the ProTheRaMon framework and illustrate its potential use case and data processing steps for a patient treated at the Cyclotron Centre Bronowice (CCB) proton therapy center in Krakow, Poland. Approach: The ProTheRaMon framework is based on GATE Monte Carlo software, the CASToR reconstruction package and in-house developed Python and bash scripts. The framework consists of five separated simulation and data processing steps, that can be further optimized according to the user’s needs and specific settings of a given proton therapy facility and PET scanner design. Main results: ProTheRaMon is presented using example data from a patient treated at CCB and the J-PET scanner to demonstrate the application of the framework for proton therapy range monitoring. The output of each simulation and data processing stage is described and visualized. Significance: We demonstrate that the ProTheRaMon simulation platform is a high-performance tool, capable of running on a computational cluster and suitable for multi-parameter studies, with databases consisting of large number of patients, as well as different PET scanner geometries and settings for range monitoring in a clinical environment. Due to its modular structure, the ProTheRaMon framework can be adjusted for different proton therapy centers and/or different PET detector geometries. It is available to the community via github.

Objective Verification of delivered proton therapy treatments is essential for reaping the many benefits of the modality, with the most widely proposed in vivo verification technique being the imaging of positron emitting isotopes generated in the patient during treatment using positron emission tomography (PET). The purpose of this work is to reduce the computational resources and time required for simulation of patient activation during proton therapy using the GPU accelerated Monte Carlo code FRED, and to validate the predicted activity against the widely used Monte Carlo code GATE. Approach We implement a continuous scoring approach for the production of positron emitting isotopes within FRED version 5.59.9. We simulate treatment plans delivered to 95 head and neck patients at Centrum Cyklotronowe Bronowice using this GPU implementation, and verify the accuracy using the Monte Carlo toolkit GATE version 9.0. Main results We report an average reduction in computational time by a factor of 50 when using a local system with 2 GPUs as opposed to a large compute cluster utilising between 200 to 700 CPU threads, enabling simulation of patient activity within an average of 2.9 minutes as opposed to 146 minutes. All simulated plans are in good agreement across the two Monte Carlo codes. The two codes agree within a maximum of 0.95σ on a voxel-by-voxel basis for the prediction of 7 different isotopes across 472 simulated fields delivered to 95 patients, with the average deviation over all fields being 6.4·10-3σ. Significance The implementation of activation calculations in the GPU accelerated Monte Carlo code FRED provides fast and reliable simulation of patient activation following proton therapy, allowing for research and clinical applications of range verification for this treatment modality using PET to proceed at a rapid pace.

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Objective: The aim of this work is to investigate the feasibility of the Jagiellonian Positron Emission Tomography (J-PET) scanner for intra-treatment proton beam range monitoring.Approach: The Monte Carlo simulation studies with GATE and PET image reconstruction with CASToR were performed in order to compare six J-PET scanner geometries (three dual-heads and three cylindrical). We simulated proton irradiation of a PMMA phantom with a Single Pencil Beam (SPB) and Spread-Out Bragg Peak (SOBP) of various ranges. The sensitivity and precision of each scanner were calculated, and considering the setup's cost-effectiveness, we indicated potentially optimal geometries for the J-PET scanner prototype dedicated to the proton beam range assessment.Main results: The investigations indicate that the double-layer cylindrical and triple-layer double-head configurations are the most promising for clinical application. We found that the scanner sensitivity is of the order of 10 −5 coincidences per primary proton, while the precision of the range assessment for both SPB and SOBP irradiation plans was found below 1 mm. Among the scanners with the same number of detector modules, the best results are found for the triple-layer dual-head geometry.Significance: We performed simulation studies demonstrating that the feasibility of the J-PET detector for PET-based proton beam therapy range monitoring is possible with reasonable sensitivity and precision enabling its pre-clinical tests in the clinical proton therapy environment. Considering the sensitivity, precision and costeffectiveness, the double-layer cylindrical and triple-layer dual-head J-PET geometry configurations seem promising for the future clinical application. Experimental tests are needed to confirm these findings.

Objective: The Jagiellonian PET (J-PET) technology, based on plastic scintillators, has been proposed as a cost effective tool for detecting range deviations during proton therapy. This study investigates the feasibility of using J-PET for range monitoring by means of a detailed Monte Carlo simulation study of 95 patients who underwent proton therapy at the Cyclotron Centre Bronowice (CCB) in Krakow, Poland. 
Approach: Discrepancies between prescribed and delivered treatments were artificially introduced in the simulations by means of shifts in patient positioning and in the Hounsfield unit to the relative proton stopping power calibration curve. A dual-layer, cylindrical J-PET geometry was simulated in an in-room monitoring scenario and a triple-layer, dual-head geometry in an in-beam protocol. The distribution of range shifts in reconstructed PET activity was visualised in the beam's eye view. Linear prediction models were constructed from all patients in the cohort, using the mean shift in reconstructed PET activity as a predictor of the mean proton range deviation. 
Main results: Maps of deviations in the range of reconstructed PET distributions showed agreement with those of deviations in dose range in most patients. The linear prediction model showed a good fit, with coefficient of determination r^2 = 0.84 (in-room) and 0.75 (in-beam). Residual standard error was below 1 mm: 0.33 mm (in-room) and 0.23 mm (in-beam). 
Significance: The precision of the proposed prediction models shows the sensitivity of the proposed J-PET scanners to shifts in proton range for a wide range of clinical treatment plans. Furthermore, it motivates the use of such models as a tool for predicting proton range deviations and opens up new prospects for investigations into the use of intra-treatment PET images for predicting clinical metrics that aid in the assessment of the quality of delivered treatment.