S. Taioli - Academia.edu (original) (raw)
Papers by S. Taioli
The Journal of Chemical Physics, 2012
Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of... more Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm(-1) and 1100-1900 cm(-1) regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.
EPJ Web of Conferences
Theory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ... more Theory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear β-decay rates using magnetized laboratory plasma that can mimic selected stellar-like conditions in terms of the temperature of the environment. The main feature of the setup which is based on a plasma trap to create and sustain the plasma, a detector array for the measurement of the gamma-rays emitted by the daughter nuclei after the decay process and the diagnostic tools developed to online monitor the plasma will be presented. A short list of the physics cases we plan to investigate together with an evaluation of their feasibility will be also discussed.
We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure... more We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0 − 400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the "reference coexistence" technique to overcome uncertainties inherent in earlier DFT calculations of the melting curve of Mo. Our calculated melting curve agrees well with experiment at ambient pressure and is consistent with shock data at high pressure, but does not agree with the high pressure melting curve from static compression experiments. Our calculated P (V) and T (P) Hugoniot relations agree well with shock measurements. We use calculations of phonon dispersion relations as a function of pressure to eliminate some possible interpretations of the solid-solid phase transition observed in shock experiments on Mo.
Computational Materials Science, 2019
In this work we describe two different models for interpreting and predicting Reflection Electron... more In this work we describe two different models for interpreting and predicting Reflection Electron Energy Loss (REEL) spectra and we present results of a study on metallic systems comparing the computational cost and the accuracy of these techniques. These approaches are the Monte Carlo (MC) method and the Numerical Solution (NS) of the Ambartsumian-Chandrasekhr equations. The former is based on a statistical algorithm to sample the electron trajectories within the target material for describing the electron transport. The latter relies on the numerical solution of the Ambartsumian-Chandrasekhar equations using the invariant embedding method. Both methods receive the same input parameters to deal with the elastic and inelastic electron scattering. To test their respective capability to describe REEL experimental spectra, we use copper, silver, and gold as case studies. Our simulations include both bulk and surface plasmon contributions to the energy loss spectrum by using the effective electron energy loss functions and the relevant extensions to finite momenta. The agreement between MC and NS theoretical spectra with experimental data is remarkably good. Nevertheless, while we find that these approaches are comparable in accuracy, the computational cost of NS is several orders of magnitude lower than the widely used MC. Inputs, routines and data are enclosed with this manuscript via the Mendeley database.
The Journal of Physical Chemistry C, 2018
In this work, we propose a theoretical and computational model for taking into account the anisot... more In this work, we propose a theoretical and computational model for taking into account the anisotropic structure of Highly Oriented Pyrolitic Graphite (HOPG) in the Monte Carlo simulations of charge transport. In particular, the dielectric characteristics, such as the inelastic mean free path and energy losses, are treated by linearly combining the contributions to these observables along the two main orthogonal directions identifying the layered crystalline structure of HOPG (along the layer plane and perpendicular to it). Energy losses are evaluated from ab initio calculations of the dielectric function of the system along these two perpendicular directions. Monte Carlo simulated spectra, obtained with our anisotropic approach, are compared with acquired experimental data of Reflection Electron Energy Loss and Secondary Electron spectra, showing a good agreement. These findings validate the idea of the importance of considering properly-weighted inter-planar and intra-planar interactions in the simulation of electron transport in layered materials.
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RSC Advances, 2016
High kinetic energy impacts between inorganic surfaces and molecular beams seeded by organics rep... more High kinetic energy impacts between inorganic surfaces and molecular beams seeded by organics represent a fundamental tool in materials science, particularly when they activate chemical–physical processes leading to nanocrystals' growth.
The Journal of Physical Chemistry Letters, 2018
We combine sub20fs transient absorption spectroscopy with stateoftheart computations to study the... more We combine sub20fs transient absorption spectroscopy with stateoftheart computations to study the ultrafast photoinduced dynamics of transazobenzene (AB). We are able to resolve the lifetime of the * state, whose decay within ca. 50 fs is correlated to the buildup of the n * population and to the ππ π
Journal of Physics B: Atomic, Molecular and Optical Physics, 2003
Page 1. On the angular dependence of L x-ray production cross sections following photoionization ... more Page 1. On the angular dependence of L x-ray production cross sections following photoionization at an energy of 59.54 keV This article has been downloaded from IOPscience. Please scroll down to see the full text article. 2003 J. Phys. B: At. Mol. Opt. Phys. 36 843 ...
Journal of Physics, Conference Series, Jan 5, 2016
In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electr... more In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electron-captures on 7 Be). This occurs through the combined operation of mixing processes and proton captures, when H-burning operates close to the envelope. Observed Li abundances are however difficult to explain, as they cover a wide spread. Various uncertainties affect model attempts, but so far the largest one concerns the processes of bound and free ecaptures on 7 Be, hence its lifetime , whose known estimates are valid only for solar conditions. RGB and AGB stages have temperatures and densities below the envelope covering a wide range and differing from solar by up to a factor of five for T and up to five orders of magnitudes for ρ, hence extrapolations are unreliable. Recently, we presented an estimate of the 7 Be half-life based on a fully quantistic method that goes beyond the Debye-Hückel approximation. Here we discuss its consequences on Li nucleosynthesis in low mass AGB stars.
Electron-molecule collisions at low and intermediate energies using the R-matrix method
We analyze the 134 55 Cs→ 56 Ba and 135 55 Cs→ 56 Ba β− decays, which are crucial production chan... more We analyze the 134 55 Cs→ 56 Ba and 135 55 Cs→ 56 Ba β− decays, which are crucial production channels for Ba isotopes in Asymptotic Giant Branch (AGB) stars. We reckon, from relativistic quantum mechanis, the effects of multichannel scattering onto weak decays, including nuclear and electronic excited states populated above ' 10 keV, for both parent and daughter nuclei. We find a significant increase (by more than a factor 3 for Cs) of the half-lives with respect to previous recommendations [1, 2], and we discuss our method in view of these last calculations based on general systematics. The major impact on half-lives comes from nuclear excited state decays, while including electronic temperatures yields a ≈ 20% increase, at energies typical of lowand intermediate-mass AGB stars (M . 8M ). Our predictions strongly modify branching ratios along the s-process path, and allow nucleosynthesis models to account well for the isotopic admixtures of Ba in presolar SiC grains.
Journal of Physics: Conference Series, 2016
In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electr... more In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electron-captures on 7 Be). This occurs through the combined operation of mixing processes and proton captures, when H-burning operates close to the envelope. Observed Li abundances are however difficult to explain, as they cover a wide spread. Various uncertainties affect model attempts, but so far the largest one concerns the processes of bound and free ecaptures on 7 Be, hence its lifetime , whose known estimates are valid only for solar conditions. RGB and AGB stages have temperatures and densities below the envelope covering a wide range and differing from solar by up to a factor of five for T and up to five orders of magnitudes for ρ, hence extrapolations are unreliable. Recently, we presented an estimate of the 7 Be half-life based on a fully quantistic method that goes beyond the Debye-Hückel approximation. Here we discuss its consequences on Li nucleosynthesis in low mass AGB stars.
Reports on Progress in Physics
Astronomy & Astrophysics
Context. Electron-capture on 7Be is the main production channel for 7Li in several astrophysical ... more Context. Electron-capture on 7Be is the main production channel for 7Li in several astrophysical environments. Theoretical evaluations have to account for not only the nuclear interaction, but also the processes in the plasma in which 7Be ions and electrons interact. In recent decades several estimates were presented, pointing out that the theoretical uncertainty in the rate is in general of a few percent. Aims. In the framework of fundamental solar physics, we consider a recent evaluation for the 7Be+e− rate, which has not been used up to now, in the estimate of neutrino fluxes. Methods. We analyzed the effects of the new assumptions on standard solar models (SSMs) and compared the results obtained by adopting the revised 7Be+e− rate to those obtained by that reported in a widely used compilation of reaction rates (ADE11). Results. We found that new SSMs yield a maximum difference in the efficiency of the 7Be channel of about −4% with respect to what is obtained with the previously...
We studied adsorption and dynamics of CO 2 , CH 4 , N 2 , H 2 and binary mixtures thereof in the ... more We studied adsorption and dynamics of CO 2 , CH 4 , N 2 , H 2 and binary mixtures thereof in the zeolitic imidazolate frameworks ZIF-2 to ZIF-10, using computer simulations. The results of grand canonical Monte Carlo calculations showed that the amount of gas adsorbed in these materials is smaller than what can be stored in other organic frameworks, due to the small-pore structure of these crystals. The results of molecular dynamics simulations showed that three of these materials (ZIF-5, ZIF-7 and ZIF-9) fulfill the condition for molecular sieving separation of H 2 , whose diffusion is orders of magnitude faster than that of other species. Analysis of the adsorption and permeance selectivity for the other materials, in which all the species considered have comparable self-diffusion coefficients, points out ZIF-4 as the best performing material for a large variety of gas separations. Our results indicate the importance of complementing Monte Carlo data with molecular dynamics simulations in assessing the performance of small-pore organic frameworks for gas adsorption and separation. In particular, the explicit modeling of framework flexibility is crucial to obtain reliable gas-diffusion properties of small-pore frameworks.
Computational Science & Discovery, 2009
The surface photoelectron and inner shell electron spectroscopy (SURPRISES) program suite perform... more The surface photoelectron and inner shell electron spectroscopy (SURPRISES) program suite performs ab initio calculations of photoionization and non-radiative decay spectra in nanoclusters and solid state systems by using a space-energy similarity procedure to reproduce the band-like part of the spectra. This approach provides an extension of Fano resonant multichannel scattering theory dealing with the complexity arising from condensed matter calculations at a computational cost comparable to that of molecules. The bottleneck of electron spectroscopy ab initio calculations in condensed matter is the size of the Hilbert space where the wavefunctions are expanded and the increase in number of final decay states in comparison to that of atoms and molecules. In particular, the diagonalization of the interchannel interaction to take into account the correlation between the double ion and the escaping electron is impracticable when hole delocalization on valence bands and electronic excitations are included in the model. To overcome this problem SURPRISES uses a 'spaceenergy similarity' approach, which allows the spreading of the Auger probability over the bands without tuning semi-empirical parameters. Furthermore, a completely new feature in the landscape of ab initio resonant decay processes calculations is represented by including energy loss through a statistical approach. Using the calculated lineshape as electron source, a Monte Carlo routine simulates the effect of inelastic losses on the original lineshape. In this process, the computed spectrum can be directly compared with acquired experimental spectra, thus avoiding background subtraction, a procedure not free from uncertainty. The program can exploit the symmetry of the system under investigation to reduce the calculation scaling and may compute photoemission and Auger decay angular distribution patterns including 5 Corresponding authors for first principles calculations. Corresponding author for the energy loss calculation. S Taioli et al energy loss for the electrons emitted in resonance-affected photoionization processes. In this paper, we present general methods, computational techniques and a number of numerical tests applied to the calculation of Si K-LL and O K-LL Auger spectra from different SiO 2 nanoclusters.
The Journal of Chemical Physics, 2012
Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of... more Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm(-1) and 1100-1900 cm(-1) regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.
EPJ Web of Conferences
Theory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ... more Theory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear β-decay rates using magnetized laboratory plasma that can mimic selected stellar-like conditions in terms of the temperature of the environment. The main feature of the setup which is based on a plasma trap to create and sustain the plasma, a detector array for the measurement of the gamma-rays emitted by the daughter nuclei after the decay process and the diagnostic tools developed to online monitor the plasma will be presented. A short list of the physics cases we plan to investigate together with an evaluation of their feasibility will be also discussed.
We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure... more We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0 − 400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the "reference coexistence" technique to overcome uncertainties inherent in earlier DFT calculations of the melting curve of Mo. Our calculated melting curve agrees well with experiment at ambient pressure and is consistent with shock data at high pressure, but does not agree with the high pressure melting curve from static compression experiments. Our calculated P (V) and T (P) Hugoniot relations agree well with shock measurements. We use calculations of phonon dispersion relations as a function of pressure to eliminate some possible interpretations of the solid-solid phase transition observed in shock experiments on Mo.
Computational Materials Science, 2019
In this work we describe two different models for interpreting and predicting Reflection Electron... more In this work we describe two different models for interpreting and predicting Reflection Electron Energy Loss (REEL) spectra and we present results of a study on metallic systems comparing the computational cost and the accuracy of these techniques. These approaches are the Monte Carlo (MC) method and the Numerical Solution (NS) of the Ambartsumian-Chandrasekhr equations. The former is based on a statistical algorithm to sample the electron trajectories within the target material for describing the electron transport. The latter relies on the numerical solution of the Ambartsumian-Chandrasekhar equations using the invariant embedding method. Both methods receive the same input parameters to deal with the elastic and inelastic electron scattering. To test their respective capability to describe REEL experimental spectra, we use copper, silver, and gold as case studies. Our simulations include both bulk and surface plasmon contributions to the energy loss spectrum by using the effective electron energy loss functions and the relevant extensions to finite momenta. The agreement between MC and NS theoretical spectra with experimental data is remarkably good. Nevertheless, while we find that these approaches are comparable in accuracy, the computational cost of NS is several orders of magnitude lower than the widely used MC. Inputs, routines and data are enclosed with this manuscript via the Mendeley database.
The Journal of Physical Chemistry C, 2018
In this work, we propose a theoretical and computational model for taking into account the anisot... more In this work, we propose a theoretical and computational model for taking into account the anisotropic structure of Highly Oriented Pyrolitic Graphite (HOPG) in the Monte Carlo simulations of charge transport. In particular, the dielectric characteristics, such as the inelastic mean free path and energy losses, are treated by linearly combining the contributions to these observables along the two main orthogonal directions identifying the layered crystalline structure of HOPG (along the layer plane and perpendicular to it). Energy losses are evaluated from ab initio calculations of the dielectric function of the system along these two perpendicular directions. Monte Carlo simulated spectra, obtained with our anisotropic approach, are compared with acquired experimental data of Reflection Electron Energy Loss and Secondary Electron spectra, showing a good agreement. These findings validate the idea of the importance of considering properly-weighted inter-planar and intra-planar interactions in the simulation of electron transport in layered materials.
RSC Advances, 2016
High kinetic energy impacts between inorganic surfaces and molecular beams seeded by organics rep... more High kinetic energy impacts between inorganic surfaces and molecular beams seeded by organics represent a fundamental tool in materials science, particularly when they activate chemical–physical processes leading to nanocrystals' growth.
The Journal of Physical Chemistry Letters, 2018
We combine sub20fs transient absorption spectroscopy with stateoftheart computations to study the... more We combine sub20fs transient absorption spectroscopy with stateoftheart computations to study the ultrafast photoinduced dynamics of transazobenzene (AB). We are able to resolve the lifetime of the * state, whose decay within ca. 50 fs is correlated to the buildup of the n * population and to the ππ π
Journal of Physics B: Atomic, Molecular and Optical Physics, 2003
Page 1. On the angular dependence of L x-ray production cross sections following photoionization ... more Page 1. On the angular dependence of L x-ray production cross sections following photoionization at an energy of 59.54 keV This article has been downloaded from IOPscience. Please scroll down to see the full text article. 2003 J. Phys. B: At. Mol. Opt. Phys. 36 843 ...
Journal of Physics, Conference Series, Jan 5, 2016
In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electr... more In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electron-captures on 7 Be). This occurs through the combined operation of mixing processes and proton captures, when H-burning operates close to the envelope. Observed Li abundances are however difficult to explain, as they cover a wide spread. Various uncertainties affect model attempts, but so far the largest one concerns the processes of bound and free ecaptures on 7 Be, hence its lifetime , whose known estimates are valid only for solar conditions. RGB and AGB stages have temperatures and densities below the envelope covering a wide range and differing from solar by up to a factor of five for T and up to five orders of magnitudes for ρ, hence extrapolations are unreliable. Recently, we presented an estimate of the 7 Be half-life based on a fully quantistic method that goes beyond the Debye-Hückel approximation. Here we discuss its consequences on Li nucleosynthesis in low mass AGB stars.
Electron-molecule collisions at low and intermediate energies using the R-matrix method
We analyze the 134 55 Cs→ 56 Ba and 135 55 Cs→ 56 Ba β− decays, which are crucial production chan... more We analyze the 134 55 Cs→ 56 Ba and 135 55 Cs→ 56 Ba β− decays, which are crucial production channels for Ba isotopes in Asymptotic Giant Branch (AGB) stars. We reckon, from relativistic quantum mechanis, the effects of multichannel scattering onto weak decays, including nuclear and electronic excited states populated above ' 10 keV, for both parent and daughter nuclei. We find a significant increase (by more than a factor 3 for Cs) of the half-lives with respect to previous recommendations [1, 2], and we discuss our method in view of these last calculations based on general systematics. The major impact on half-lives comes from nuclear excited state decays, while including electronic temperatures yields a ≈ 20% increase, at energies typical of lowand intermediate-mass AGB stars (M . 8M ). Our predictions strongly modify branching ratios along the s-process path, and allow nucleosynthesis models to account well for the isotopic admixtures of Ba in presolar SiC grains.
Journal of Physics: Conference Series, 2016
In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electr... more In most cases RGB and AGB stars with M≤ 2M destroy Li (which is instead synthesized trough electron-captures on 7 Be). This occurs through the combined operation of mixing processes and proton captures, when H-burning operates close to the envelope. Observed Li abundances are however difficult to explain, as they cover a wide spread. Various uncertainties affect model attempts, but so far the largest one concerns the processes of bound and free ecaptures on 7 Be, hence its lifetime , whose known estimates are valid only for solar conditions. RGB and AGB stages have temperatures and densities below the envelope covering a wide range and differing from solar by up to a factor of five for T and up to five orders of magnitudes for ρ, hence extrapolations are unreliable. Recently, we presented an estimate of the 7 Be half-life based on a fully quantistic method that goes beyond the Debye-Hückel approximation. Here we discuss its consequences on Li nucleosynthesis in low mass AGB stars.
Reports on Progress in Physics
Astronomy & Astrophysics
Context. Electron-capture on 7Be is the main production channel for 7Li in several astrophysical ... more Context. Electron-capture on 7Be is the main production channel for 7Li in several astrophysical environments. Theoretical evaluations have to account for not only the nuclear interaction, but also the processes in the plasma in which 7Be ions and electrons interact. In recent decades several estimates were presented, pointing out that the theoretical uncertainty in the rate is in general of a few percent. Aims. In the framework of fundamental solar physics, we consider a recent evaluation for the 7Be+e− rate, which has not been used up to now, in the estimate of neutrino fluxes. Methods. We analyzed the effects of the new assumptions on standard solar models (SSMs) and compared the results obtained by adopting the revised 7Be+e− rate to those obtained by that reported in a widely used compilation of reaction rates (ADE11). Results. We found that new SSMs yield a maximum difference in the efficiency of the 7Be channel of about −4% with respect to what is obtained with the previously...
We studied adsorption and dynamics of CO 2 , CH 4 , N 2 , H 2 and binary mixtures thereof in the ... more We studied adsorption and dynamics of CO 2 , CH 4 , N 2 , H 2 and binary mixtures thereof in the zeolitic imidazolate frameworks ZIF-2 to ZIF-10, using computer simulations. The results of grand canonical Monte Carlo calculations showed that the amount of gas adsorbed in these materials is smaller than what can be stored in other organic frameworks, due to the small-pore structure of these crystals. The results of molecular dynamics simulations showed that three of these materials (ZIF-5, ZIF-7 and ZIF-9) fulfill the condition for molecular sieving separation of H 2 , whose diffusion is orders of magnitude faster than that of other species. Analysis of the adsorption and permeance selectivity for the other materials, in which all the species considered have comparable self-diffusion coefficients, points out ZIF-4 as the best performing material for a large variety of gas separations. Our results indicate the importance of complementing Monte Carlo data with molecular dynamics simulations in assessing the performance of small-pore organic frameworks for gas adsorption and separation. In particular, the explicit modeling of framework flexibility is crucial to obtain reliable gas-diffusion properties of small-pore frameworks.
Computational Science & Discovery, 2009
The surface photoelectron and inner shell electron spectroscopy (SURPRISES) program suite perform... more The surface photoelectron and inner shell electron spectroscopy (SURPRISES) program suite performs ab initio calculations of photoionization and non-radiative decay spectra in nanoclusters and solid state systems by using a space-energy similarity procedure to reproduce the band-like part of the spectra. This approach provides an extension of Fano resonant multichannel scattering theory dealing with the complexity arising from condensed matter calculations at a computational cost comparable to that of molecules. The bottleneck of electron spectroscopy ab initio calculations in condensed matter is the size of the Hilbert space where the wavefunctions are expanded and the increase in number of final decay states in comparison to that of atoms and molecules. In particular, the diagonalization of the interchannel interaction to take into account the correlation between the double ion and the escaping electron is impracticable when hole delocalization on valence bands and electronic excitations are included in the model. To overcome this problem SURPRISES uses a 'spaceenergy similarity' approach, which allows the spreading of the Auger probability over the bands without tuning semi-empirical parameters. Furthermore, a completely new feature in the landscape of ab initio resonant decay processes calculations is represented by including energy loss through a statistical approach. Using the calculated lineshape as electron source, a Monte Carlo routine simulates the effect of inelastic losses on the original lineshape. In this process, the computed spectrum can be directly compared with acquired experimental spectra, thus avoiding background subtraction, a procedure not free from uncertainty. The program can exploit the symmetry of the system under investigation to reduce the calculation scaling and may compute photoemission and Auger decay angular distribution patterns including 5 Corresponding authors for first principles calculations. Corresponding author for the energy loss calculation. S Taioli et al energy loss for the electrons emitted in resonance-affected photoionization processes. In this paper, we present general methods, computational techniques and a number of numerical tests applied to the calculation of Si K-LL and O K-LL Auger spectra from different SiO 2 nanoclusters.