We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis set multiplied by a cutoff factor. For confined atoms, where the wall is placed close to the atomic nucleus, we show how the energy of the highest occupied a...

A series of quinoidal thiophene based dye molecules were designed and their optoelectronic properties were studied for dye sensitized solar cell (DSSC) applications. The efficiency of the designed dye molecules was analyzed using various parameters such as the HOMO-LUMO energy gap, absorption spectra, light harvesting efficiency (LHE), exciton biding energy (Eb) and free energy change for elect...

The trapping of electrons by grain boundaries in semiconducting and insulating materials is important for a wide range of physical problems, for example, relating to: electroceramic materials with applications as sensors, varistors and fuel cells, reliability issues for solar cell and semiconductor technologies and electromagnetic seismic phenomena in the Earth's crust. Surprisingly, considerin...

This work focuses on two issues crucial to achieving high throughput with a negative electron affinity semiconductor photocathode source. Monte Carlo simulations indicate that for a 50 kV system, as much as 8 mA of current may be delivered to the wafer to achieve a raw throughput of 20 8 in. wafers per hour with 0.1 mm minimum feature size ~assuming a resist sensitivity of 10 mC/cm!. In order t...

Methods for applying the variationally stable procedure for Nth-order perturbative transition matrix elements of Gao and Starace [Phys. Rev. Lett. 61, 404 (1988); Phys. Rev. A 39, 4550 (1989)] to multiphoton processes involving systems other than atomic H are presented. Three specific cases are discussed: one-electron ions or atoms in which the electron-ion interaction is described by a central...

Collective and single-particle spin-flip excitations of a two-dimensional electron gas in a semimagnetic Cd1−xMnxTe quantum well are observed by resonant Raman scattering. Application of a magnetic field splits the spin-subbands and a spin-polarization is induced in the electron gas. Above some critical field, a collective spin-flip mode, which disperses with in-plane wave vector, dominates the...

The recent announcement by the PREX collaboration of an unanticipated thick neutron skin in 208Pb (Rskin208) has challenged our understanding rich matter vicinity nuclear saturation density. Whereas earlier constraints indicate that symmetry energy is relatively soft, PREX-2 result seems to suggest opposite. We confront on obtained from measurements electric dipole polarizability against those ...

The adsorption of functional molecules on insulator surfaces is of great interest to molecular and organic electronics. Here, we present a systematic investigation of the geometric and electronic properties of perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) and C60 on KBr(001) using density functional theory and non-contact atomic force microscopy to reveal the interplay of inter...

The equilibrium geometries, electronic and vibrational properties, and static polarizability of B24, B24 , and B24 clusters are reported here. First-principles calculations based on density functional theory predict the staggered double-ring configuration to be the ground state for B24, B24 , and B24 , in contrast to the quasi-planar structure observed in small neutral and ionized Bn clusters w...

In 1999, F.A.B. Coutinho, Y.Nogami and Lauro Tomio published a paper entitled “Two definitions of the electric polarizability of a bound system in relativistic quantum theory”. The authors of ref.(1), dicussed the possibility of two definitions of the relativistic electric polarizability and the difference between the two definitions. In addition, the authors relate their definitions to the ele...