Real-Code Genetic Algorithm for Ground State Energies of Hydrogenic Donors in GaAs-（Ga,Al）As Quantum Dots

We present a global optimization method, called the real-code genetic algorithm (RGA), to the ground state energies. The proposed method does not require partial derivatives with respect to each variational parameter or solving an eigenequation, so the present method overcomes the major difficulties of the variational method. RGAs also do not require coding and encoding procedures, so the computation time and complexity are reduced. The ground state energies of hydrogenic donors in GaAs-(Ga,Al)As quantum dots have been calculated for a range of the radius of the quantum dot radii of practical interest. They are compared with those obtained by the variational method. The results obtained demonstrate the proposed method is simple, accurate, and easy implement.

The Calculation of Ground State Energies of Double-Electron Systems in an Uniform Magnetic Field below 10~9 G

Energies for the ground states of double electron systems in a uniform magnetic field B≤ 10 9 G are calculated by using the modified Slater basis and configuration interaction method, and the result for energy in zero magnetic field is comparable with those obtained by different methods.

Evaluation of Orbital- and Ground State Energies of Some Open- and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals

Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum numbers noninteger have been performed. In order to increase the efficiency of these calculations the atomic two-electron integrals were expressed in terms of incomplete beta function. Results were observed to be in good agreement with the literature.

Influence of the Electric Field on the Properties of the Bound Magnetopolaron in GaAs Semiconductor Quantum Wells

The influence of the electric field on the properties of the bound magnetopolaron in an infinite-depth GaAs semiconductor quantum well is investigated using the linear-combination operator and the unitary transformation method. The relationships between the polaron＇s ground state energy and the Coulomb bound potential, electric field, magnetic field, and well-width are derived and discussed. Our numerical results show that the absolute value of the polaron＇s ground state energy increases as the electric field and the Coulomb bound potential increase, and decreases as the well-width and the magnetic field strength increase. When the well-width is small,the quantum size effect is significant.

Influence of the Interaction Between Phonons and Coulomb Potential on the Properties of a Bound Polaron in a Quantum Dot

The properties of a bound polaron in a parabolic quantum dot with weak electron-LO-phonon coupling under a Coulomb field are studied. The ground state energy of the bound polaron is derived by using a linear combination operator and the perturbation method. The influence of the interaction between phonons with different wave vectors in the recoil process on the ground state energy of the bound polaron is discussed. Numerical calculations are performed,and the results show that the ground state energy increases significantly as the effective confinement length of the quantum dot decreases,considering of the interaction between phonons. When l0〉1.0, the influence of the interaction between phonons on the ground state energy cannot be ignored.

Influence of temperature on ground state energy of bound polaron in asymmetric Gaussian potential quantum well in presence of electromagnetic field

By a combination method of Lee-Low-Pines unitary transformation method and Pekar-type variational method,the ground state energy(GSE)of the bound polaron is studied in the asymmetrical Gaussian potential quantum well considering the temperature and electromagneticfield.The impacts of the temperature and asymmetrical Gaussian potential,electromagnetic field and phonon-electron coupling upon the GSE are obtained.The results show that the GSE of the bound polaron not only oscillates as the temperature changes regardless of the electromagneticfield and asymmetrical Gaussian potential and Coulomb impurity potential(CIP)and electron-phonon coupling but also has different rules with the electromagnetic field and asymmetrical Gaussian potential and CIP and electron-phonon coupling at different temperature zones.

Polaronic effect on a bound polaron

Feynman variational path integral theory was used to obtain the ground state energy of a polaron in a quantum well in the presence of a Coulomb potential for arbitrary values of the electron phonon coupling constant α . Numerical and analytical results showed that the energy shift was more sensitive to α than to the Coulomb binding parameter ( β ) and increased with the decrease of effective quantum well width l Z . It was interesting that due to the electronic confinement in the quasi 2D (quantum well) structures, the lower bound of the strong coupling regime was shifted to smaller values of α . Comparison of the polaron in the quantum well with that in the quantum wire or dot showed that the polaronic effect strengthened with decrease of the confinement dimension.

Excitonic Eigenstates of Disordered Semiconductor Quantum Wires:Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrodinger Equation

A novel adaptive approach to compute the eigenenergies and eigenfunctions of the two-particle(electron-hole)Schrodinger equation including Coulomb attraction is presented.As an example,we analyze the energetically lowest exciton state of a thin one-dimensional semiconductor quantum wire in the presence of disorder which arises from the non-smooth interface between the wire and surrounding material.The eigenvalues of the corresponding Schrodinger equation,i.e.,the onedimensional exciton Wannier equation with disorder,correspond to the energies of excitons in the quantum wire.The wavefunctions,in turn,provide information on the optical properties of the wire.We reformulate the problem of two interacting particles that both can move in one dimension as a stationary eigenvalue problem with two spacial dimensions in an appropriate weak form whose bilinear form is arranged to be symmetric,continuous,and coercive.The disorder of the wire is modelled by adding a potential in the Hamiltonian which is generated by normally distributed random numbers.The numerical solution of this problem is based on adaptive wavelets.Our scheme allows for a convergence proof of the resulting scheme together with complexity estimates.Numerical examples demonstrate the behavior of the smallest eigenvalue,the ground state energies of the exciton,together with the eigenstates depending on the strength and spatial correlation of disorder.

Effects of an anisotropic parabolic potential and Coulomb’s impurity potential on the energy characteristics of asymmetrical semi-exponential CsI quantum wells

Because of its unique optoelectronic properties,people have studied the characteristics of polarons in various quantum well(QW)models.Among them,the asymmetrical semiexponential QW(ASEQW)is a new model for studying the structure of QWs in recent years.It is of great significance to study the influences of the impurity and anisotropic parabolic confinement potential(APCP)on the crystal’s properties,because some of the impurities,usually regarded as Coulomb’s impurity potential(CIP),will exist in the crystal more or less,and the APCP has flexible adjustment parameters.However,the energy characteristics of the ASEQW under the combined actions of impurities and APCP have not been studied,which is the motivation of this paper.Using the linear combination operation and Lee-Low-Pines unitary transformation methods,we investigate the vibrational frequency and the ground state energy of the strong coupling polaron in an ASEQW with the influences of the CIP at the origin of coordinates and APCP,and make a comparison between our results and previous literature’s.Our numerical results about the energy properties in the ASEQW influenced by the CIP and APCP may have important significances for experimental design and device preparation.

Properties of polaron in a triangular quantum well induced by the Rashba effect

The properties of the weakly-coupling bound polaron, considering an influence of Rashba effect, which is brought about by the spin-orbit （SO） interaction, in an semiconductor triangular quantum well （TQW）, have been studied by using the linear combination operator and the unitary transformation methods. We obtain an expression for the ground state energy of the weak-coupling and bound polaron in a TQW as a function of the coupling constant, Coulomb bound potential, and the electron areal density. Our numerical resuks show that the ground state energy of the polaron is composed of four parts, one part is caused by the electrons＇ own energy, the second part is caused by the Rashba effect, the third part occurs because of the Coulomb bound potential, and the last term is induced by the interaction between the electrons and LO phonons. The interactions between the orbit and the spin with different directions have different effects on the ground state energy of the polaron.

Isotopic Effects on Stereodynamics of the C^+ + H_2→CH^+ + H Reaction

The effects of isotope substitution on stereodynamic properties for the reactions C^+ + H_2/HD/HT →CH^+ + H/D/T have been studied applying a quasi classical trajectory method occurring on the new ground state CH_2^+ potential energy surface [J. Chem. Phys. 142(2015) 124302]. In the center of mass coordinates applying the quasi classical trajectory method to investigate the orientation and the alignment of the product molecule. Differential cross section and three angle distribution functions P(θ_r), P(ф_r), P(θ_r, ф_r) on the potential energy surface that fixed the collision energy with a value is 40 kcal/mol have been studied. The isotope effect becomes more and more important with the reagent molecules H_2 changing into HD and HT. P(θ_r, ф_r) as the joint probability density function of both polar angles θ_r and ф_r, which can illustrate more detailed dynamics information. The isotope effect is obvious influence on the properties of stereodynamics in the reactions of C^+ + H_2/HD/HT → CH^+ + H/D/T.