In this paper, at first we have formulated the lowest order constrained variational method for the relativistic case of an interacting fermion system at finite temperature. Then we have used this formalism to calculate some thermodynamic properties of liquid in the relativistic regime. The results show that the difference between total energies of relativistic and non-relativistic cases of liqu...

Enaminones are chemical compounds consisting of an amino group (−N=) linked through a C=C to a C=O group. In this research, four various enaminone structures were theoretically optimized. These enaminone structures have been studied for substituent effect on hydrogen bond, method and basic set effects on the geometrical parameters, vibrational frequencies and etc. Drawing molecular structures a...

This paper reviews existing theoretical calculations of the electronic characteristics

Many theoretical calculations of subtle coherent effects in quantum mechanics do not carefully consider the interface between their calculations and experiment. Calculations for gedanken experiments using initial states not satisfied in realistic experiments give results requiring interpretation. Confusion and ambiguities frequently arise. Calculations for timedependent mixing oscillations desc...

With the aim of exploring the electronic and optical properties of some interesting conductive copolymers in view of potential applications, a regular oligomer systems made of aniline and three reference heterocyclic compounds (pyrrole, thiophene and furan) are studied using density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations at B3LYP/6-31+G(d,p) le...

Results of stellar evolution calculations and results of non-adiabatic stellar pulsation calculations can be used to construct theoretical , composition-dependent, short period boundaries (or \blue edges") of the instability strip in the period-luminosity plane for Cepheids pulsating in the fundamental and rst overtone radial modes. The slopes of these blue edges are very similar to the slopes ...

in this study, a general theoretical model to foresee and calculate the current-voltagecharacteristics in a plateau zone and the associated efficiency of the neutron detector (sensitivity) is presented. this study is to complete the previous studies in this field. the model also considers electric field distortion resulting from the charge collection effect. the characteristics curve is obtaine...

an analysis of selected fission fragment angular distributions from helium-ion induced fission is made using an exact theoretical expression. theoretical anisotropies obtained with the transition state model are compared with their corresponding values deduced from the statistical scission model. the nuclear moment of inertia extracted from the model calculations are compared with their estimat...