用李代数方法构造四原子分子的势能面

把李代数方法得到的四原子分子的代数Hamiltonian，利用相干态经典化之后并找到一个新的变换，将分子的键角引入，而得到四原子分子的势能面.由该势能面计算得到的解离能与力常数与其他方法给出的一致.     

Non-trivial effect of the in-plane shear elasticity on the phase transitions of fixed-connectivity meshwork models

We numerically study the phase structure of two types of triangulated spherical surface models, which includes an in-plane shear energy in the Hamiltonian, and we found that the phase structure of the models is considerably influenced by the presence of the in-plane shear elasticity. The models undergo a first-order collapsing transition and a first-order (or second-order) transition of surface fluctuations; the latter transition was reported to be of second-order in the first model without the in-plane shear energy. This leads us to conclude that the in-plane elasticity strengthens the transition of surface fluctuations. We also found that the in-plane elasticity decreases the variety of phases in the second model without the in-plane energy. The Hamiltonian of the first model is given by a linear combination of the Gaussian bond potential, a one-dimensional bending energy, and the in-plane shear energy. The second model is obtained from the first model by replacing the Gaussian bond potential with the Nambu-Goto potential, which is defined by the summation over the area of triangles.     

The geometric potential of a double-frequency corrugated surface

For an electron confined to a surface reconstructed by double-frequency corrugations, we give the effective Hamiltonian by the formula of geometric influences, obtain an additive scalar potential induced by curvature that consists of attractive wells with different depth. The difference is generated by the multiple frequency of the double-frequency corrugation. Subsequently, we investigate the effects of geometric potential on the transmission probability, and find the resonant tunneling peaks becoming rapidly sharper and the transmission gaps being substantially widened with increasing the multiple frequency. As a potential application, double-frequency corrugations can be employed to select electrons with particular incident energy, as an electronic switch, which are more effective than a single-frequency ones.     

Schrödinger equation for a particle on a curved surface in an electric and magnetic field

We derive the Schr?dinger equation for a spinless charged particle constrained to move on a curved surface in the presence of an electric and magnetic field. The particle is confined on the surface using a thin-layer procedure, which gives rise to the well-known geometric potential. The electric and magnetic fields are included via the four potential. We find that there is no coupling between the fields and the surface curvature and that, with a proper choice of the gauge, the surface and transverse dynamics are exactly separable. Finally, we derive an analytic form of the Hamiltonian for spherical, cylindrical, and toroidal surfaces.     

Über den Grundzustand überschwerer Atome

We consider a bound relativistic electron in a Coulomb-Field with charge numbers greater than 137. By careful examination of the self-adjointness property of the Hamiltonian we determine the energy eigenvalues; they depend on a parameter which can be interpreted as a cut-off radius of the potential leading to quantitative predictions of the energy of the spectrum, especially of the lowest state.     

Weak turbulent Kolmogorov spectrum for surface gravity waves

We study the long-time evolution of surface gravity waves on deep water excited by a stochastic external force concentrated in moderately small wave numbers. We numerically implemented the primitive Euler equations for the potential flow of an ideal fluid with free surface written in Hamiltonian canonical variables, using the expansion of the Hamiltonian in powers of nonlinearity of terms up to fourth order. We show that because of nonlinear interaction processes a stationary Fourier spectrum of a surface elevation close to <|eta(k)|(2)> approximately k(-7/2) is formed. The observed spectrum can be interpreted as a weak-turbulent Kolmogorov spectrum for a direct cascade of energy.     

A New First-Order Phase Transition for an Extended Jaynes–Cummings–Dicke Model with a High-Finesse Optical Cavity in the BEC System<Superscript>†</Superscript>

We present a two-level atomic Bose–Einstein condensate (BEC) with dispersion, which is coupled to a high-finesse optical cavity. We call this model the extended Jaynes–Cummings–Dicke (JC-Dicke) model and introduce an effective Hamiltonian for this system. From the direct product of Heisenberg–Weyl (HW) coherent states for the field and U(2) coherent states for the matter, we obtain the potential energy surface of the system. Within the framework of the mean-field approach, we evaluate the variational energy as the expectation value of the Hamiltonian for the considered state. We investigate numerically the quantum phase transition and the Berry phase for this system. We find the influence of the atom–atom interactions on the quantum phase transition point and obtain a new phase transition occurring when the microwave amplitude changes. Furthermore, we observe that the coherent atoms not only shift the phase transition point but also affect the macroscopic excitations in the superradiant phase.     

A new formulation of the quantum problem in the theory of spectra of polyatomic molecules

A new approach to calculate energy levels and wave functions of polyatomic molecules with a definite geometric structure of the system assumed from the very beginning has been suggested. The effect of nuclear vibrations has been taken into account explicitly when separating variables in the Hamiltonian of the electronic state problem. The problem of the energy matrix formation has been discussed. It has been shown that some common patterns in higher-order vibrational spectra and in vibronic spectra can be explained without using concepts of anharmonism and changing the potential well parameters for an electron-excited state as compared to those for the ground state.     

Hamiltonian systems on fibered manifolds

We offer a new geometric theory of Hamiltonian systems with an infinite number of degrees of freedom in which the Hamiltonian operators are nonlinear differential operators on fields. The Poisson bracket is carried into the vertical bracket by the mapping between functionals and Hamitonian operators which is established by a Hamiltonian structure.     

A new class of adiabatic cyclic states and geometric phases for non-Hermitian Hamiltonians

For a T-periodic non-Hermitian Hamiltonian H(t), we construct a class of adiabatic cyclic states of period T which are not eigenstates of the initial Hamiltonian H(0). We show that the corresponding adiabatic geometric phase angles are real and discuss their relationship with the conventional complex adiabatic geometric phase angles. We present a detailed calculation of the new adiabatic cyclic states and their geometric phases for a non-Hermitian analog of the spin 1/2 particle in a precessing magnetic field.     

On the determination of the intramolecular potential energy surface of polyatomic molecules: Hydrogen sulfide and formaldehyde as an illustration

We present here an approach for determining the Hamiltonian of polyatomic molecules that allows one to successfully solve the problem of potential energy surface (PES) determination via construction and diagonalization of a Hamiltonian matrix of large dimension. In the suggested approach, the Hamiltonian is very simple and can be used both for any “normal” polyatomic molecule and for any isotopic species of a molecule. Molecules with two to four equivalent X-Y bonds are considered, and for illustration of the efficiency of the suggested approach, numerical calculations are made for the three-atomic (hydrogen sulfide) and four-atomic (formaldehyde) molecules.     

External forces outside of a layered electron gas

We calculate the external forces outside of the surface of a layered electron gas (LEG). The LEG is a model of a metal where the electrical current is carried in parallel layers, and there is no current between layers. It describes the high-temperature cuprate superconductors and many other layered solids. We calculate the image potential from an external charge, the van der Waals potential from a neutral atom and the Casimir force between the parallel surfaces of two LEGs. Our theory does not use dielectric functions. We write down the quantum mechanical Hamiltonian, calculate the exact ground state energy and deduce the forces from the energy. We also show that the LEG has no surface plasmon.     

Vibrational spectrum of ground state Li3 and statistical analysis of the energy levels

We report J = 0 calculations of all bound vibrational levels of ground-state Li₃ using a realistic double many-body expansion potential energy surface, and a minimum-residual filter diagonalization technique. The action of the system Hamiltonian on the wavefunction is evaluated by the spectral transform method in hyperspherical coordinates, i.e. a fast Fourier transform for the ρ and ø variables and a discrete variable representation-finite basis representation transformation for θ. The spectrum shows significant changes when geometric phase effects are considered. Using random matrix theory, it is then shown from the neighbour spacing distributions of the vibrational levels that the spectra for the various symmetries are Brody-type while the full spectra are quasi-regular in short range and quasi-irregular in long range.     

Three-Poincare Algebra in Complex General Relativity

We obtain a general covariant conservation law of energy momentum in complex general relativity by general displacement transformation in terms of Ashtekar new variables. The energy is exactly the ADM Hamiltonian on the constraint surface on condition that an appropriate time function is chosen. The energy momentum is gauge-covariant and commutes with all the constraints whence they are physical observables. Furthermore, the Poisson brackets of the momentum and the internal SU(2) charges form a three-Poincare algebra.     

Floquet states and geometrical phase of a multi-level system in cyclic evolution

We study the electronic states of a mesoscopic system whose Hamiltonian has a complicated static multi-level energy structure and undergoes periodic evolution in time. By using the Floquet theory, we derive the quasienergies, the Floquet states, and the geometrical phase. It is shown numerically that the geometrical phase is strongly dependent on the evolution circuits in the parameter space and on the evolution frequency of the varying Hamiltonian. In some cases the nonadiabatic geometric phases can exhibit chaotic behavior. We also show a trend of phase compensation in pairs of states which could restore the phase coherence if the pairing occurs.     

Quantum-mechanical oscillator in a uniform force field

The symmetry group of an isotropic oscillator explaining additional degeneracy of its energy levels was for the first time considered by Demkov [1–3]. He directed attention to the fact that harmonic oscillator Hamiltonian symmetry was beyond the scope of usual geometric concepts and could be expressed using canonical transformations relating coordinates and momenta. We show in this paper how the symmetry properties of the harmonic oscillator Hamiltonian can be used to solve the dynamic problem of an oscillator in a uniform force field.     

Constructing the time independent Hamiltonian from a time dependent one

In this paper we introduce a method for finding a time independent Hamiltonian of a given Hamiltonian dynamical system by canonoid transformation of canonical momenta. We find a condition that the system should satisfy to have an equivalent time independent formulation. We study the example of a damped harmonic oscillator and give the new time independent Hamiltonian for it, which has the property of tending to the standard Hamiltonian of the harmonic oscillator as damping goes to zero.      

Energy states of colored particle in a chromomagnetic field

The unitary transformation which diagonalizes the squared Dirac equation in a constant chromomagnetic field is found. Applying this transformation, we find the eigenfunctions of the diagonalized Hamiltonian, that describes the states with a definite value of energy, and we call them energy states. It is pointed out that the energy states are determined by the color interaction term of the particle with the background chromofield, and this term is responsible for the splitting of the energy spectrum. We construct supercharge operators for the diagonal Hamiltonian that ensure the superpartner property of the energy states. PACS 03.65.-w An erratum to this article can be found at