相关论文: First Principles Study of Structural and Optical P…
Magic-size clusters are ultra-small colloidal semiconductor systems that are intensively studied due to their monodisperse nature and sharp UV-vis absorption peak compared with regular quantum dots. However, the small size of such clusters…
We discuss the interstellar absorption from many atomic and molecular species seen in high-resolution $HST$/STIS UV and high-S/N optical spectra of the moderately reddened B3-5~V star HD~62542. This remarkable sight line exhibits both very…
Correlating the signals from simultaneous atom interferometers has enabled some of the most precise determinations of fundamental constants. Here, we show that multiple interferometers with strategically chosen initial conditions ("offset…
The presence of $\alpha$ clustered structures in light nuclei can enhance the initial spatial anisotropies in relativistic nuclear collisions relative to those arising from nuclei with uniform density distributions. Thus, observables that…
A key assumption in quasar absorption line studies of the circumgalactic medium (CGM) is that each absorption component maps to a spatially isolated "cloud" structure that has single valued properties (e.g. density, temperature,…
The symmetry energy coefficients, incompressibility, and single-particle and isovector potentials of clusterized dilute nuclear matter are calculated at different temperatures employing the $S$-matrix approach to the evaluation of the…
Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…
We report on high resolution spectra of the bright QSO HS0747+4259 (zem = 1.90, V = 15.8) observed to search for intermediate redshift OVI absorption systems. The spectra were obtained by means of the Space Telescope Imaging Spectrograph…
Absorption profile of a four-level ladder atomic system interacting with three driving fields is studied perturbatively and analytical results are presented. Numerical results where the driving field strengths are treated upto all orders…
Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…
We analyse the properties of the Gogny interaction in homogeneous matter, with special emphasis on the isovector sector. We provide analytical expressions for both the single-particle and the bulk properties of symmetric and asymmetric…
We use observations of spatially-aligned C II, C IV, Si II, Si IV, and O I absorbers to probe the slope and intensity of the ultraviolet background (UVB) at $z \sim 6$. We accomplish this by comparing observations with predictions from a…
We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we predict new stable structures of 2D boron-carbon (B-C) compounds…
We have performed a systematic first-principles investigation to calculate the structural, electronic, and magnetic properties of PbCrO$_{3}$, CrPbO$_{3}$ as well as their equiproportional combination. The local density approximation…
Isovector and isoscalar dipole excitations in $^9$Be and $^{10}$Be are investigated in the framework of antisymmetrized molecular dynamics, in which angular-momentum and parity projections are performed. In the present method, 1p-1h…
The four most stable structures of Ni$_N$ clusters with $N$ from 2 to 150 have been determined using a combination of the embedded-atom method in the version of Daw, Baskes and Foiles, the {\it variable metric/quasi-Newton} method, and our…
The present work reports the spectroscopic parameters and molecular properties for the ground electronic state, $^1\Sigma^+$, of CdH$^+$, HgH$^{+}$, and YbH$^{+}$ molecular ions. We have used the state-of-the-art relativistic coupled…
Molecular clusters of 1,3-butadiene were theoretically investigated using a variety of approaches, encompassing classical force fields and different quantum chemical (QC) methods, as well as density-functional based tight-binding (DFTB) in…
The infrared spectra of the weakly-bound dimers OCS-HCCCCH, in the region of the nu1 fundamental band of OCS (2050 cm-1), and N2O-HCCCCH, in the region of the nu1 fundamental band of N2O (2200 cm-1), were observed in a pulsed supersonic…
A study is presented of the localisation of excitonic states on extended molecular aggregates composed of identical monomers arising, not from disorder due to statistical energy shifts of the monomers, induced by environmental interactions…