A Time-Dependent Born–Oppenheimer Approximation with Exponentially Small Error Estimates

We present the construction of an exponentially accurate time-dependent Born–Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are proportional to ε⁻⁴, where ε is a small expansion parameter. By optimal truncation of an asymptotic expansion, we construct approximate solutions to the time-dependent Schr?dinger equation that agree with exact normalized solutions up to errors whose norms are bounded by , for some C and γ >0. Received: 13 February 2001 / Accepted: 13 July 2001     

Adiabatic Decoupling and Time-Dependent Born–Oppenheimer Theory

We reconsider the time-dependent Born–Oppenheimer theory with the goal to carefully separate between the adiabatic decoupling of a given group of energy bands from their orthogonal subspace and the semiclassics within the energy bands. Band crossings are allowed and our results are local in the sense that they hold up to the first time when a band crossing is encountered. The adiabatic decoupling leads to an effective Schr?dinger equation for the nuclei, including contributions from the Berry connection. Received: 10 July 2000 / Accepted: 30 July 2001     

Topological Born–Infeld-dilaton black holes

We construct a new analytic solution of Einstein–Born–Infeld-dilaton theory in the presence of Liouville-type potentials for the dilaton field. These solutions describe dilaton black holes with nontrivial topology and nonlinear electrodynamics. Black hole horizons and cosmological horizons in these spacetimes, can be a two-dimensional positive, zero or negative constant curvature surface. The asymptotic behavior of these solutions are neither flat nor (A)dS. We calculate the conserved and thermodynamic quantities of these solutions and verify that these quantities satisfy the first law of black hole thermodynamics.     

The special theory of relativity as applied to the Born–Oppenheimer–Huang approach

In two recent publications (Int. J. Quant. Chem. 114, 1645 (2014) and Mole. Phys. 114, 227 (2016)) it was shown that the Born–Hwang (BH) treatment of a molecular system perturbed by an external field yields a set of decoupled vectorial wave equations, just like in electro-magnetism. This finding led us to declare on the existence of a new type of Fields, which were termed Molecular Fields. The fact that such fields exist implies that at the vicinity of conical intersections exist a mechanism that transforms a passing-by electric beam into a field which differs from the original electric field. This situation is reminiscent of what is encountered in astronomy where Black Holes formed by massive stars may affect the nature of a near-by beam of light. Thus, if the non-adiabatic-coupling-terms (NACT) with their singular points may affect the nature of such a beam (see the above two publications), then it would be interesting to know to what extend NACTs (and consequently also the BH equation) will be affected by the special theory of relativity as introduced by Dirac. Indeed, while applying the Dirac approach we derived the relativistic affected NACTs as well as the corresponding BH equation.     

Berry phase and Hannay’s angle in the Born–Oppenheimer hybrid systems

In this paper, we investigate the Berry phase and Hannay’s angle in the Born–Oppenheimer (BO) hybrid systems and obtain their algebraic expressions in terms of one form connection. The semiclassical relation of Berry phase and Hannay’s angle is discussed. We find that, besides the usual connection term, the Berry phase of quantum BO composite system also contains a novel term brought forth by the coupling induced effective gauge potential. This quantum modification can be viewed as an effective Aharonov–Bohm effect. Moreover, the similar phenomenon is founded in Hannay’s angle of classical BO composite system, which indicates that the Berry phase and Hannay’s angle possess the same relation as the usual one. An example is used to illustrate our theory. This scheme can be used to generate artificial gauge potentials for neutral atoms. Besides, the quantum–classical hybrid BO system is also studied to compare with the results in full quantum and full classical composite systems.     

Symmetry Reduction and Exact Solutions of the Euler–Lagrange–Born–Infeld,Multidimensional Monge–Ampere and Eikonal Equations

Abstract

Using the subgroup structure of the generalized Poincaré group P (1, 4), ansatzes which reduce the Euler–Lagrange–Born–Infeld, multidimensional Monge–Ampere and eikonal equations to differential equations with fewer independent variables have been constructed. Among these ansatzes there are ones which reduce the considered equations to linear ordinary differential equations. The corresponding symmetry reduction has been done. Using the solutions of the reduced equations, some classes of exact solutions of the investigated equation have been presented.     

Characterizing the Topological Properties of 1D Non-Hermitian Systems without the Berry–Zak Phase

A new method is proposed to predict the topological properties of 1D periodic structures in wave physics, including quantum mechanics. From Bloch waves, a unique complex valued function is constructed, exhibiting poles and zeros. The sequence of poles and zeros of this function is a topological invariant that can be linked to the Berry–Zak phase. Since the characterization of the topological properties is done in the complex plane, it can easily be extended to the case of non-Hermitian systems. The sequence of poles and zeros allows to predict topological phase transitions.     

Breit–Wigner Approximation and the Distribution¶of Resonances

For operators with a discrete spectrum, {λ _j ²}, the counting function of λ _j 's, N (λ), trivially satisfies N ( λ+δ ) −N ( λ−δ ) =∑ _j δ_{λ j} ((λ−δ,λ+δ]). In scattering situations the natural analogue of the discrete spectrum is given by resonances, λ _j ∈ℂ₊, and of N (λ), by the scattering phase, s(λ). The relation between the two is now non-trivial and we prove that

Exact Perturbative Results for the Lieb–Liniger and Gaudin–Yang Models

Journal of Statistical Physics - We present a systematic procedure to extract the perturbative series for the ground state energy density in the Lieb–Liniger and Gaudin–Yang models,...     

Exact solutions of the Wheeler–DeWitt equation and the Yamabe construction

Exact solutions of the Wheeler–DeWitt equation of the full theory of four dimensional gravity of Lorentzian signature are obtained. They are characterized by Schrödinger wavefunctionals having support on 3-metrics of constant spatial scalar curvature, and thus contain two full physical field degrees of freedom in accordance with the Yamabe construction. These solutions are moreover Gaussians of minimum uncertainty and they are naturally associated with a rigged Hilbert space. In addition, in the limit the regulator is removed, exact 3-dimensional diffeomorphism and local gauge invariance of the solutions are recovered.     

Shock wave polarizations and optical metrics in the Born and the Born–Infeld electrodynamics

We analyze the behavior of shock waves in nonlinear theories of electrodynamics. For this, by use of generalized Hadamard step functions of increasing order, the electromagnetic potential is developed in a series expansion near the shock wave front. This brings about a corresponding expansion of the respective electromagnetic field equations which allows for deriving relations that determine the jump coefficients in the expansion series of the potential. We compute the components of a suitable gauge-normalized version of the jump coefficients given for a prescribed tetrad compatible with the shock front foliation. The solution of the first-order jump relations shows that, in contrast to linear Maxwell’s electrodynamics, in general the propagation of shock waves in nonlinear theories is governed by optical metrics and polarization conditions describing the propagation of two differently polarized waves (leading to a possible appearance of birefringence). In detail, shock waves are analyzed in the Born and Born–Infeld theories verifying that the Born–Infeld model exhibits no birefringence and the Born model does. The obtained results are compared to those ones found in literature. New results for the polarization of the two different waves are derived for Born-type electrodynamics.     

Quantitative Mobility Spectrum Analysis for Determination of Electron and Magneto Transport Properties of Te-Doped GaSb

Resistivity, magnetoresistivity and Hall effect measurements in n-type Te-doped GaSb grown by the liquid encapsuled Czochralski technique are carried out as functions of temperature （35-350 K） and magnetic field （0-1.35 T）. The power law model is used to explain the temperature-dependent resistivity. The magnetic-field-dependent data are analysed using the quantitative mobility spectrum analysis technique. The effect of individual band parameters （nL, nr, μL, μr, p and μp） on both the electron and magneto transports have been discussed. The EL - Er energy separation between the L and conduction band edges is also derived.     

Mellin–Barnes Representation of the Topological String

We invoke integrals of Mellin–Barnes type to analytically continue the Gopakumar–Vafa resummation of the topological string free energy in the string coupling constant, leading to additional non-perturbative terms. We also discuss in a similar manner the refined and Nekrasov–Shatashvili limit version thereof. The derivation is straight-forward and essentially boils down to taking residue. This allows us to confirm some related conjectures in the literature at tree-level.     

The Schrödinger group in molecular quantum mechanics: beyond the Born–Oppenheimer approximation

The Galillei transformation invariant form of molecular quantum mechanics is obtained, which is not restricted by the Born–Oppenheimer approximation. The molecular Hamiltonian takes then the form of a linear combination of operators of the Schrödinger group, which define the new space–time molecular symmetry properties (e.g. helicity).

The puzzling homochirality of the hydrogen bonded biomolecular systems appears then as a simple result of the molecular space-time symmetry.     

Exact solutions of the generalized Lane–Emden equations of the first and second kind

In this paper we discuss the integrability of the generalized Lane–Emden equations of the first and second kinds. We carry out their Noether symmetry classification. Various cases for the arbitrary functions in the equations are obtained for which the equations have Noether point symmetries. First integrals of such cases are obtained and also reduction to quadrature of the corresponding Lane–Emden equations are presented. New cases are found.     

Exact solutions and residual symmetries of the Ablowitz–Kaup–Newell–Segur system

The residual symmetries of the Ablowitz–Kaup–Newell–Segur(AKNS)equations are obtained by the truncated Painleve′analysis.The residual symmetries for the AKNS equations are proved to be nonlocal and the nonlocal residual symmetries are extended to the local Lie point symmetries of a prolonged AKNS system.The local Lie point symmetries of the prolonged AKNS equations are composed of the residual symmetries and the standard Lie point symmetries,which suggests that the residual symmetry method is a useful complement to the classical Lie group theory.The calculation on the symmetries shows that the enlarged equations are invariant under the scaling transformations,the space–time translations,and the shift translations.Three types of similarity solutions and the reduction equations are demonstrated.Furthermore,several types of exact solutions for the AKNS equations are obtained with the help of the symmetry method and the Bcklund transformations between the AKNS equations and the Schwarzian AKNS equation.     

Exact Computation of the Special Geometry for Calabi–Yau Hypersurfaces of Fermat Type

JETP Letters - We continue to develop our method for effectively computing the special Kähler geometry on the moduli space of Calabi–Yau manifolds. We generalize it to all polynomial...     

The Energy Spectrum and Optical Properties of Fullerene С36 within the Hubbard Model

Optics and Spectroscopy - The anticommutator Green’s functions and the energy spectra of fullerene С36 and endohedral fullerene La@C36, with both of them belonging to the D6h symmetry...     

Calculation and Analysis of Self-Broadening Coefficients of Water Vapor Lines for the Spectrum Range of 0.7–14 000.0 cm–1

Optics and Spectroscopy - Within the framework of the semiclassical method, more than 30 000 self-broadening coefficients of absorption lines of water vapor γ have been calculated for...