So far, Schrodinger equation with central potential has been solved in different methods but solving this equation with non-central potentials is less dealt with. Solving such equations are way more difficult and comp...So far, Schrodinger equation with central potential has been solved in different methods but solving this equation with non-central potentials is less dealt with. Solving such equations are way more difficult and complicated and a certain and limited number of non-central potentials can be solved. In this paper, we introduce one of the solvable kinds of such potentials and we will use NU method for solving Schrodinger equation and then by using this method we have calculated particular figures of its energy and function.展开更多
The optical properties of SrHfO3,were studied by first principle using the density functional theory.The dielectric functions and optical constants are calculated using the full potential–linearized augmented plane w...The optical properties of SrHfO3,were studied by first principle using the density functional theory.The dielectric functions and optical constants are calculated using the full potential–linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation(GGA)by Wien2k package. The theoretical calculated optical properties and energy loss(EEL)spectrum yield a static refractive index of1. 924and a Plasmon energy of 27eVfor cubic phase. The complex dielectric functions are calculated which are in good agreement with the available experimental results.展开更多
The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wa...The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The theoretical calculated optical properties and energy Loss (EEL) spectrum yield a static refractive index of 2.1 and a plasmon energy of 13eV for hexagonal phase. The results, in comparison with the published data, are in good agreement with the experimental and previous theoretical results.展开更多
The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with t...The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with the generalized gradient approximation (GGA) were studied. The calculated band structure and density of state of Armchair (7,7) carbon nanotube were in good agreement with theoretical and experimental results.展开更多
文摘So far, Schrodinger equation with central potential has been solved in different methods but solving this equation with non-central potentials is less dealt with. Solving such equations are way more difficult and complicated and a certain and limited number of non-central potentials can be solved. In this paper, we introduce one of the solvable kinds of such potentials and we will use NU method for solving Schrodinger equation and then by using this method we have calculated particular figures of its energy and function.
文摘The optical properties of SrHfO3,were studied by first principle using the density functional theory.The dielectric functions and optical constants are calculated using the full potential–linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation(GGA)by Wien2k package. The theoretical calculated optical properties and energy loss(EEL)spectrum yield a static refractive index of1. 924and a Plasmon energy of 27eVfor cubic phase. The complex dielectric functions are calculated which are in good agreement with the available experimental results.
文摘The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The theoretical calculated optical properties and energy Loss (EEL) spectrum yield a static refractive index of 2.1 and a plasmon energy of 13eV for hexagonal phase. The results, in comparison with the published data, are in good agreement with the experimental and previous theoretical results.
文摘The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with the generalized gradient approximation (GGA) were studied. The calculated band structure and density of state of Armchair (7,7) carbon nanotube were in good agreement with theoretical and experimental results.
