相关论文: Optical response of small silver clusters

We present a study of the optical response of compact and hollow icosahedral clusters containing up to 868 silver atoms by means of time-dependent density functional theory. We have studied the dependence on size and morphology of both the…

Electronic and optical properties of silver clusters were calculated using two different \textit{ab initio} approaches: 1) based on all-electron full-potential linearized-augmented plane-wave method and 2) local basis function…

We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2 or Ag3 atomic clusters and poly(methacrylic acid) (PMAA) using the time-dependent density-functional theory. The polymer is found to have an…

We predict the strong enhancement in the photoabsorption of small Mg clusters in the region of 4-5 eV due to the resonant excitation of the plasmon oscillations of cluster electrons. The photoabsorption spectra for neutral Mg clusters…

The static response properties and the structural stability of silver clusters in the size range $1\le n \le 23$ have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory in the…

This paper provides new insights concerning the simulation of plasmon driven chemical reactions using real-time TDDFT based on the tight-binding electronic structure code DFTB+, with applications to the dissociation of H$_2$ on octahedral…

The present work reports new total photoabsorption cross sections for the $N=Z$ nuclei in the $sd$-shell $^{20}$Ne, $^{24}$Mg, $^{28}$Si, $^{32}$S, $^{36}$Ar, and for $^{26}$Mg. The results are compared to predictions of a data-driven…

We present a quantum Monte Carlo study of the structure and energetics of silver doped helium clusters AgHe$_n$ for $n$ up to 100. Our simulations show the first solvation shell of the Ag atom to be composed by roughly 20 He atoms, and to…

We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around…

12\% (wt.) silver containing catalysts were prepared by aqueous ion-exchange of Ag$^+$ against Na$^+$ in NaA zeolite. Hydrogen reduction leads to the formation of silver clusters. The results of X-ray absorption spectroscopy experiments at…

The optical absorption spectrum of the three most stable isomers of the Ag11 system was calculated using the time-dependent density functional theory, with the generalized gradient approximation for the exchange and correlation potential,…

Assembly of ultracold polar molecules containing silver (Ag) from laser-cooled atoms requires knowledge of the dynamic polarizabilities of Ag at convenient laser wavelengths. We present calculations and analysis of the energies and…

The question whether the linear absorption spectra of metal clusters can be interpreted as density oscillations (collective ``plasmons'') or can only be understood as transitions between distinct molecular states is still a matter of debate…

Reliable theoretical predictions of nuclear dipole excitations are crucial for various nuclear applications, particularly in nuclear astrophysics. Calculations of radiative capture cross sections often rely on theoretical gamma strength…

A dispersion-corrected density functional theory study of the photosensitizer [Ir(ppy)$_2$(bpy)]$^+$ and its derivatives bound to silver clusters Ag$_n$ ($n$=2-20, 92) is performed. The goal is to provide a new system-specific set of…

We investigate surface plasmons from a solid-state standpoint and highlight their ultra electron density sensitivity. When a surface plasmon is excited on a planar gold film by an evanescent wave from 625 nm incident light, only a minute…

We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in…

Absorption spectra of closed-shell Na_2, Na_3+, Na_4, Na_5+, Na_6, Na_7+, and Na_8 clusters are calculated using a recently implemented conserving linear response method. In the framework of a quasiparticle approach, we determine…

The optical responses of structured array of noble-metal nanoparticle dimers immersed in a glass matrix are investigated theoretically, motivated by the recent experimental observation of the splitting of the surface plasmon bands in silver…

The localized surface-plasmon resonances (LSPRs) of coinage-metal clusters and nanoparticles provide the basis for a great number of applications, the conception and necessary optimization of which require precise theoretical description…