J. E. Sienkiewicz
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View article: Effects of pyrocatechol on the computational, structural, spectroscopic and thermal properties of silver-modified hydroxyapatite
Effects of pyrocatechol on the computational, structural, spectroscopic and thermal properties of silver-modified hydroxyapatite Open
This study investigates the synthesis and characterization of hydroxyapatite (HAp) ceramic biomaterials doped with silver (Ag) and pyrocatechol. HAp, commonly utilized in the treatment of hard tissues including teeth and bones, was produce…
View article: Calculation of electron scattering lengths on Ar, Kr, Xe, Rn and Og atoms
Calculation of electron scattering lengths on Ar, Kr, Xe, Rn and Og atoms Open
Focusing on the noble gases, we calculate the scattering potential using the Dirac–Coulomb Hamiltonian supplemented with a model polarization potential. We determine the scattering lengths using two methods, namely phase shifts for very sm…
View article: Collision Strengths of Astrophysical Interest for Multiply Charged Ions
Collision Strengths of Astrophysical Interest for Multiply Charged Ions Open
The electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star m…
View article: Potential energy curves, transition and permanent dipole moments of KRb
Potential energy curves, transition and permanent dipole moments of KRb Open
We present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is ex…
View article: Optimization of the Femtosecond Laser Impulse for Excitation and the Spin-Orbit Mediated Dissociation in the NaRb Dimer
Optimization of the Femtosecond Laser Impulse for Excitation and the Spin-Orbit Mediated Dissociation in the NaRb Dimer Open
We study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this p…
View article: Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets Open
The article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The stu…
View article: Experimental tuning of AuAg nanoalloy plasmon resonances assisted by machine learning method
Experimental tuning of AuAg nanoalloy plasmon resonances assisted by machine learning method Open
Plasmonic nanostructures based on AuAg nanoalloys were fabricated by thermal annealing of metallic films in an argon atmosphere. The nanoalloys were chosen because they can extend the wavelength range in which plasmon resonance occurs and …
View article: Spontaneous electron emission vs dissociation in internally hot silver dimer anions
Spontaneous electron emission vs dissociation in internally hot silver dimer anions Open
Referring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2−), namely, the spontaneous electron ejection giving Ag2 + e− and the dissociation leading to Ag− + Ag. The ground…
View article: Evolution of Ag nanostructures created from thin films: UV–vis absorption and its theoretical predictions
Evolution of Ag nanostructures created from thin films: UV–vis absorption and its theoretical predictions Open
Ag-based plasmonic nanostructures were manufactured by thermal annealing of thin metallic films. Structure and morphology were studied using scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transm…
View article: Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation Open
The multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of $^{129}\mathrm{Xe}$. The EDM …
View article: Au–Si plasmonic platforms: synthesis, structure and FDTD simulations
Au–Si plasmonic platforms: synthesis, structure and FDTD simulations Open
Plasmonic platforms based on Au nanostructures have been successfully synthesized by directional solidification of a eutectic from Au and the substrate. In order to determine homogeneous shape and space distribution, the influence of annea…
View article: Electronic structure and rovibrational predissociation of the 2<sup>1</sup>Π state in KLi
Electronic structure and rovibrational predissociation of the 2<sup>1</sup>Π state in KLi Open
Adiabatic potential energy curves of the 31Σ+, 33Σ+, 21Π and 23Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Lifetimes of the quasi-bound rovibrational states of the 21Π stat…
View article: Quasirelativistic Potential Energy Curves of NaRb for Direct Spectra Interpretation
Quasirelativistic Potential Energy Curves of NaRb for Direct Spectra Interpretation Open
We report the quasirelativistic potential energy curves including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0$^+$, 0$^-$, 1, and 2 molecular states correlate for large internuclear separa…