Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic f...Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic field in the atom. A characteristic point is that the electric resistance calculated for the motion is independent of the orbit index and its size is similar to that obtained earlier experimentally for the planar free-electron-like structures considered in the integer quantum Hall effect. Other current parameters like conductivity and the relaxation time behave in a way similar to that being typical for metals. A special attention was attached to the relations between the current intensity and magnetic field. A correct reproduction of this field with the aid of the Biot-Savart law became possible when the geometrical microstructure of the electron particle has been explicitly taken into account. But the same microstructure properties do influence also the current velocity. In fact the current suitable for the Biot-Savart law should have a speed characteristic for a spinning electron particle and not that of a spinless electron circulating along the orbit of the original Bohr model.展开更多
In this paper several methods including MNDO, multiple scattering Xa and ab initio self-consistent-field MO theories have been used to calculate the minimum energy geometries, force constants, vibrational frequencies,...In this paper several methods including MNDO, multiple scattering Xa and ab initio self-consistent-field MO theories have been used to calculate the minimum energy geometries, force constants, vibrational frequencies, and 11B quadruple coupling constants of B-O polyhedra such as [BO3], [BO4], [OB2]and [OB3]. The results are in good agreement with the experimental and calculated values so far published by other authors.展开更多
Simpler formulas are derived for one-range addition theorems for the integer and noninteger n generalized ex- ponential type orbitals, momentum space orbitals, and hyperspherical harmonics with hyperbolic cosine (GET...Simpler formulas are derived for one-range addition theorems for the integer and noninteger n generalized ex- ponential type orbitals, momentum space orbitals, and hyperspherical harmonics with hyperbolic cosine (GETO HC, GMSO HC, and GHSH HC) in position, momentum and four-dimensional spaces, respectively. The final results are expressed in terms of one-range addition theorems of complete orthonormal sets of Ca-exponential type orbitals, Ca- momentum space orbitals and za-hyperspherical harmonics. We notice that the one-range addition theorems for integer and noninteger n-Slater type orbitals and Gaussian type orbitals in position, momentum and four dimensional spaces are special cases of GETO HC, GMSO HC, and GHSH HC. The theorems presented can be useful in the accurate study of the electronic structure of atomic and molecular systems.展开更多
The dynamical behavior of real-world phenomena is implausible graphically due to the complexity of mathematical coding. The present article has mainly focused on some one-dimensional real maps’ dynamical behavior irr...The dynamical behavior of real-world phenomena is implausible graphically due to the complexity of mathematical coding. The present article has mainly focused on some one-dimensional real maps’ dynamical behavior irrespective of using coding. In continuation, linear, quadratic, cubic, higher-order, exponential, logarithmic, and absolute value maps have been used to scrutinize their dynamical behavior, including the characteristics of the orbit of points. Dynamical programming software (DPS.exe) will be proposed as a new technique to ascertain the dynamical behavior of said maps. Thus, a mathematician can automatically determine one-dimensional real maps’ dynamical behavior apart from complicated programming code and analytical solutions.展开更多
Using the unsymmetrical one-range addition theorems introduced by one of the authors with the help of complete orthonormal sets of $/varPsi ^/alpha $-exponential type orbitals ($/alpha = 1,0, - 1, - 2,...)$, this...Using the unsymmetrical one-range addition theorems introduced by one of the authors with the help of complete orthonormal sets of $/varPsi ^/alpha $-exponential type orbitals ($/alpha = 1,0, - 1, - 2,...)$, this paper presents the sets of series expansion relations for multicentre nuclear attraction integrals over Slater-type orbitals arising in Hartree--Fock--Roothaan equations for molecules. The final results are expressed through multicentre charge density expansion coefficients and basic integrals. The convergence of the series is tested by calculating concrete cases for arbitrary values of parameters of orbitals.展开更多
Using formulae for one- and two-electron integrals of Coulomb interaction potential fk (r) = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-expo...Using formulae for one- and two-electron integrals of Coulomb interaction potential fk (r) = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-exponential-type orbitals (α = 1, 0,-1,-2,…), we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k = 1 - μ (-1 〈 μ 〈 0). For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of calculations obtained are better than the numerical Hartree-Fock values.展开更多
In this paper, we propose a semi-continuous dynamical system to study the cooperative system with feedback control. Based on geometrical analysis and the analogue of Poincare criterion, the existence and stability of ...In this paper, we propose a semi-continuous dynamical system to study the cooperative system with feedback control. Based on geometrical analysis and the analogue of Poincare criterion, the existence and stability of the positive order one periodic solutions are given. Numerical results are carried out to illustrate the feasibility of our main results.展开更多
The formulae are established in position,momentum,and four-dimensional spaces for the one-range addition theorems of generalized integer and noninteger μ Coulomb,and exponential type correlated interaction potentials...The formulae are established in position,momentum,and four-dimensional spaces for the one-range addition theorems of generalized integer and noninteger μ Coulomb,and exponential type correlated interaction potentials with hyperbolic cosine(GCTCP and GETCP HC).These formulae are expressed in terms of one-range addition theorems of complete orthonormal sets of Ψα-exponential type orbitals(Ψ α-ETO),α-momentum space orbitals(α-MSO),and zα-hyperspherical harmonics(zα-HSH) introduced.The one-range addition theorems obtained can be useful in the electronic structure calculations of atoms and molecules when the GCTCP and GETCP HC in position,momentum,and four-dimensional spaces are employed.展开更多
We study the possible topological phase in a one-dimensional(1D) quantum wire with an oscillating Rashba spin–orbital coupling in real space. It is shown that there are a pair of particle–hole symmetric gaps formi...We study the possible topological phase in a one-dimensional(1D) quantum wire with an oscillating Rashba spin–orbital coupling in real space. It is shown that there are a pair of particle–hole symmetric gaps forming in the bulk energy band and fractional boundary states residing in the gap when the system has an inversion symmetry. These states are topologically nontrivial and can be characterized by a quantized Berry phase ±π or nonzero Chern number through dimensional extension. When the Rashba spin–orbital coupling varies slowly with time, the system can pump out 2 charges in a pumping cycle because of the spin flip effect. This quantized pumping is protected by topology and is robust against moderate disorders as long as the disorder strength does not exceed the opened energy gap.展开更多
文摘Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic field in the atom. A characteristic point is that the electric resistance calculated for the motion is independent of the orbit index and its size is similar to that obtained earlier experimentally for the planar free-electron-like structures considered in the integer quantum Hall effect. Other current parameters like conductivity and the relaxation time behave in a way similar to that being typical for metals. A special attention was attached to the relations between the current intensity and magnetic field. A correct reproduction of this field with the aid of the Biot-Savart law became possible when the geometrical microstructure of the electron particle has been explicitly taken into account. But the same microstructure properties do influence also the current velocity. In fact the current suitable for the Biot-Savart law should have a speed characteristic for a spinning electron particle and not that of a spinless electron circulating along the orbit of the original Bohr model.
文摘In this paper several methods including MNDO, multiple scattering Xa and ab initio self-consistent-field MO theories have been used to calculate the minimum energy geometries, force constants, vibrational frequencies, and 11B quadruple coupling constants of B-O polyhedra such as [BO3], [BO4], [OB2]and [OB3]. The results are in good agreement with the experimental and calculated values so far published by other authors.
文摘Simpler formulas are derived for one-range addition theorems for the integer and noninteger n generalized ex- ponential type orbitals, momentum space orbitals, and hyperspherical harmonics with hyperbolic cosine (GETO HC, GMSO HC, and GHSH HC) in position, momentum and four-dimensional spaces, respectively. The final results are expressed in terms of one-range addition theorems of complete orthonormal sets of Ca-exponential type orbitals, Ca- momentum space orbitals and za-hyperspherical harmonics. We notice that the one-range addition theorems for integer and noninteger n-Slater type orbitals and Gaussian type orbitals in position, momentum and four dimensional spaces are special cases of GETO HC, GMSO HC, and GHSH HC. The theorems presented can be useful in the accurate study of the electronic structure of atomic and molecular systems.
文摘The dynamical behavior of real-world phenomena is implausible graphically due to the complexity of mathematical coding. The present article has mainly focused on some one-dimensional real maps’ dynamical behavior irrespective of using coding. In continuation, linear, quadratic, cubic, higher-order, exponential, logarithmic, and absolute value maps have been used to scrutinize their dynamical behavior, including the characteristics of the orbit of points. Dynamical programming software (DPS.exe) will be proposed as a new technique to ascertain the dynamical behavior of said maps. Thus, a mathematician can automatically determine one-dimensional real maps’ dynamical behavior apart from complicated programming code and analytical solutions.
文摘Using the unsymmetrical one-range addition theorems introduced by one of the authors with the help of complete orthonormal sets of $/varPsi ^/alpha $-exponential type orbitals ($/alpha = 1,0, - 1, - 2,...)$, this paper presents the sets of series expansion relations for multicentre nuclear attraction integrals over Slater-type orbitals arising in Hartree--Fock--Roothaan equations for molecules. The final results are expressed through multicentre charge density expansion coefficients and basic integrals. The convergence of the series is tested by calculating concrete cases for arbitrary values of parameters of orbitals.
文摘Using formulae for one- and two-electron integrals of Coulomb interaction potential fk (r) = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-exponential-type orbitals (α = 1, 0,-1,-2,…), we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k = 1 - μ (-1 〈 μ 〈 0). For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of calculations obtained are better than the numerical Hartree-Fock values.
基金Supported by the National Natural Science Foundation of China(11671346,11501489,11371306,11301453)Supported by the Department of Education of Henan Province(14B110034)+1 种基金Supported by the Nanhu Scholars Program of XYNU,Foundation and Frontier Project of Henan(152300410019)Supported by the Youth Teacher Foundation of XYNU(2016GGJJ-14)
文摘In this paper, we propose a semi-continuous dynamical system to study the cooperative system with feedback control. Based on geometrical analysis and the analogue of Poincare criterion, the existence and stability of the positive order one periodic solutions are given. Numerical results are carried out to illustrate the feasibility of our main results.
文摘The formulae are established in position,momentum,and four-dimensional spaces for the one-range addition theorems of generalized integer and noninteger μ Coulomb,and exponential type correlated interaction potentials with hyperbolic cosine(GCTCP and GETCP HC).These formulae are expressed in terms of one-range addition theorems of complete orthonormal sets of Ψα-exponential type orbitals(Ψ α-ETO),α-momentum space orbitals(α-MSO),and zα-hyperspherical harmonics(zα-HSH) introduced.The one-range addition theorems obtained can be useful in the electronic structure calculations of atoms and molecules when the GCTCP and GETCP HC in position,momentum,and four-dimensional spaces are employed.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.115074045 and 11204187)the Natural Science Foundation of Jiangsu Province,China(Grant No.BK20131284)
文摘We study the possible topological phase in a one-dimensional(1D) quantum wire with an oscillating Rashba spin–orbital coupling in real space. It is shown that there are a pair of particle–hole symmetric gaps forming in the bulk energy band and fractional boundary states residing in the gap when the system has an inversion symmetry. These states are topologically nontrivial and can be characterized by a quantized Berry phase ±π or nonzero Chern number through dimensional extension. When the Rashba spin–orbital coupling varies slowly with time, the system can pump out 2 charges in a pumping cycle because of the spin flip effect. This quantized pumping is protected by topology and is robust against moderate disorders as long as the disorder strength does not exceed the opened energy gap.