Wigner crystals (WCs) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic structure theory and condensed-matter physics. Although the (lowest-energy) ground-state WC (GSWC) has been thoroughly studied, the properties of excited-state...

To reduce the cost of CubeSat satellites, an industrial level performance for radio-electronic components designed ground operations is applied. A specific tem-perature range should be maintained such electronic to operate under space flight conditions. Since spacecraft does not have active temperature regulation system, thermal conditions are determined by balance between inactive absorbed and...

In the last decade, computational studies of liquid water have mostly concentrated on ground-state properties. However, recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and x-ray spectra requires accurate theoretical models of excited electronic states, not only of the ground state. To this end, we investigate the electronic pro...

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

alkanolamine solutions such as 2-amino-2-methyl-1-propanol (amp) are widely used in chemical industries for the removal of acid gases such as co2 and h2s. in this work, the density of co2, amp, water, and amp solutions using the goharshadi–morsali–abbaspour equation of state “gma eos” in the extended 50-degree range of temperatures (313.06-362.65 k) and pressures (0.5-40 mpa) was calculated. th...

in this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. the chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. a comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...