原子与分子团簇
We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Na_{n}, n=2-6), as well as closed-shell cation clusters (Na_{n}^{+},…
We present a combined experimental and theoretical study of the charging dynamics of helium nanodroplets doped with atoms of different species and irradiated by intense near-infrared (NIR) laser pulses (<10^15 Wcm-2). In particular, we…
There is considerable interest in collective effects in hybrid systems formed by molecular or atomic ensembles strongly coupled by an electromagnetic resonance. For analyzing such collective effects, we develop an efficient and general…
Lowest bound S-state energy of Coulomb three-body systems ($N^{Z+}\mu^-e^-$) having a positively charged nucleus of charge number Z ($N^{Z+}$), a negatively charged muon ($\mu^-$) and an electron ($e^-$), is investigated in the framework of…
We report on studies of collisions between 3 keV Ar$^+$ projectile ions and neutral targets of isolated 1,3-butadiene (C$_4$H$_6$) molecules and cold, loosely bound clusters of these molecules. We identify molecular growth processes within…
Neutral metal-containing molecules and clusters present a particular challenge to velocity map imaging techniques. Common methods of choice for producing such species such as laser ablation or magnetron sputtering typically generate a wide…
We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 by femtosecond X-ray diffraction using a laser plasma-based X-ray source. Ultrafast structural dynamics of Sr2IrO4 thin films are…
From microscopic point-dipole model calculations of the screening of the Coulomb interaction in non-polar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one dimensional systems…
The process of wave propagation in an infinite linear chain is analyzed. Established, that dispersion relation between the angular frequency and the wave number for transverse waves differs from similar dependencies for longitudinal.
The radiative lifetime of molecules or atoms can be increased by placing them within a tuned conductive cavity that inhibits spontaneous emission. This was examined as a possible means of enhancing three-body, singlet-based upconversion,…
We theoretically analyze angle-resolved photo-electron spectra (ARPES) generated by the interaction of C$_{60}$ with intense, short laser pulses. In particular, we focus on the impact of the carrier-envelope phase (CEP) onto the angular…
The degree of thermalization of electronically excited state manifolds of an absorber can be tested via optical spectroscopy. In the thermalized-manifold case, the ratio of absorption and emission is expected to follow a universal…
We theoretically investigate the size-, shape-, and composition-dependent polarizabilities of the SimCn (m, n = 1 - 4) clusters by using the density functional based coupled perturbed Hartree-Fock method. The size-dependence of the…
We investigate the dynamic second-order hyperpolarizabilities {\gamma}(-3{\omega}; {\omega}, {\omega}, {\omega}) (indicated by {\gamma}THG) of the Si2C and Si3C clusters using the highly accurate coupled cluster singles-and-doubles (CCSD)…
We find that negative charges on an armchair single-walled carbon nanotube (SWCNT) can significantly enhance the migration of a carbon adatom on the external surfaces of SWCNTs, along the direction of the tube axis. Nanotube charging…
The interaction of a helium atom with intense short 800 nm laser pulse is studied theoretically beyond the single-active-electron approximation. For this purpose, the time-dependent Schr\"odinger equation for the two-electron wave packet…
The influence of the crystallographic orientation of a typical metal surface, like aluminum, on electron emission spectra produced by grazing incidence of ultrashort laser pulses is investigated by using the band-structure-based-Volkov…
A robust potential wherein is embedded the crucial core polarization interaction is used in the Regge Pole methodology to calculate low energy electron elastic scattering total cross section (TCS) for the C60 fullerene in the electron…
We present an implementation of optimal control theory for the first-principles non-adiabatic Ehrenfest Molecular Dynamics model, which describes a condensed matter system by considering classical point-particle nuclei, and quantum…
The results for binding energies of $^6$Li He$_2$ and $^7$Li He$_2$ systems are presented. They are obtained by solving Faddeev equations in configuration space. It is shown that the excited states in both systems are of the Efimov-type.