scholarly journals Kuryshkin-Wodkiewicz quantum measurement model for alkaline metal atoms

2020 ◽  
Vol 28 (3) ◽  
pp. 274-288
Author(s):  
Alexander V. Zorin
Keyword(s):  
Hydrogen Atom ◽  
Alkali Metal ◽  
Single Particle ◽  
Alkali Metals ◽  
Quantum Measurements ◽  
Constructive Model ◽  
Metal Atoms ◽  
Quantum Objects ◽  
Particle Potential ◽  
Single Particle Potential

The constructive form of the Kuryshkin-Wodkiewicz model of quantum measurements was earlier developed in detail for the quantum Kepler problem. For more complex quantum objects, such a construction is unknown. At the same time, the standard (non-constructive) model of Holevo-Helstrom quantum measurements is suitable for any quantum object. In this work, the constructive model of quantum measurements is generalized to a wider class of quantum objects, i.e., the optical spectrum of atoms and ions with one valence electron. The analysis is based on experimental data on the energy ordering of electrons in an atom according to the Klechkovsky-Madelung rule and on the substantiation of a single-particle potential model for describing the energy spectrum of optical electrons in alkali metal atoms. A representation of the perturbation of a single-particle potential in the form of a convolution of the potential of an electron in a hydrogen atom with the Wigner function of a certain effective state of the core in an alkali metal atom representation allows reducing all calculation algorithms for alkali metals to the corresponding algorithms for the hydrogen atom.

The Deformation Structure of the Nuclei 32S and 36Ar

2017 ◽  
Vol 13 (2) ◽  
pp. 4678-4688
Author(s):  
K. A. Kharroube
Keyword(s):  
Single Particle ◽  
Electric Quadrupole ◽  
Quadrupole Moments ◽  
Moments Of Inertia ◽  
Deformation Structures ◽  
Particle Potential ◽  
Nilsson Model ◽  
Single Particle Potential ◽  
Axes Of Symmetry ◽  
Good Agreement

We applied two different approaches to investigate the deformation structures of the two nuclei S32 and Ar36 . In the first approach, we considered these nuclei as being deformed and have axes of symmetry. Accordingly, we calculated their moments of inertia by using the concept of the single-particle Schrödinger fluid as functions of the deformation parameter β. In this case we calculated also the electric quadrupole moments of the two nuclei by applying Nilsson model as functions of β. In the second approach, we used a strongly deformed nonaxial single-particle potential, depending on Î² and the nonaxiality parameter γ , to obtain the single-particle energies and wave functions. Accordingly, we calculated the quadrupole moments of S32 and Ar36 by filling the single-particle states corresponding to the ground- and the first excited states of these nuclei. The moments of inertia of S32 and Ar36 are then calculated by applying the nuclear superfluidity model. The obtained results are in good agreement with the corresponding experimental data.

CO2 Adsorption on the B12N12 Nanocage Encapsulated with Alkali Metals: A Density Functional Study

NANO ◽  
2019 ◽  
Vol 14 (03) ◽  
pp. 1950034
Author(s):  
Ximin Liang ◽  
Qiyan Zhang ◽  
Qinfu Zhao ◽  
He Zhao ◽  
Yifan Feng ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Density Functional ◽  
Alkali Metals ◽  
Large Change ◽  
Functional Study ◽  
Functional Theory ◽  
Metal Atoms ◽  
Adsorption Of Co ◽  
Physical And Chemical ◽  
Homo Lumo

Density functional theory (DFT) calculations have been carried out to study the capacity of the B[Formula: see text]N[Formula: see text] nanocage encapsulated with alkali metals (Li, Na, K) for the CO2 adsorption and activation. It is found that after encapsulating alkali metals, the alkali metal atoms are closer to one side of clusters instead of exactly lying at the center, and a considerable charge transfers from the inner alkali metal atoms to the B[Formula: see text]N[Formula: see text] cage. Besides, the HOMO–LUMO gap (HLG) values of Li@B[Formula: see text]N[Formula: see text], Na@B[Formula: see text]N[Formula: see text] and K@B[Formula: see text]N[Formula: see text] are decreased to about 6[Formula: see text]eV, being much smaller than that of the pristine B[Formula: see text]N[Formula: see text]. Although the geometry structure parameters and the energy differences of M06-2X are slightly different from the ones of [Formula: see text]B97X-D, some identical results of two kinds of functional can be obtained. CO2 can be adsorbed chemically and physically on majority bonds of all the clusters, except for some bonds with large change in bond length and bond indices. The encapsulation of alkali-metal atoms may enhance the physical and chemical adsorption of CO2 on the surface of the clusters, in which Na@B[Formula: see text]N[Formula: see text] and K@B[Formula: see text]N[Formula: see text] are the most powerful physical and chemical adsorbent for CO2, respectively.

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