Weakly o‐Minimal Expansions of Boolean Algebras

We propose a definition of weak o‐minimality for structures expanding a Boolean algebra. We study this notion, in particular we show that there exist weakly o‐minimal non o‐minimal examples in this setting.     

Power series with rational coefficients for two-electron atom energies

The method of o(4, 2) operator replacements is generalized. As a result, the series whose limiting values when the variable goes to +∞ should correspond to the two-electron atom energies now have rational coefficients. This generalization allows one also to compute the series for the case of singlet S symmetry, a case which could not be considered in the previous original formulation of the method. Series with rational coefficients for the helium singlet and triplet S ground-state energy are calculated up to order 41 and 45, respectively. Moreover, symbolic computations also allow one to give the first few coefficients of these series for arbitrary values of the nuclear charge Z. Finally, a new method for analytic continuation to the limit +∞ is presented for the energies of the helium singlet and triplet ground states. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63 : 1079–1089, 1997     

Structural analysis of certain linear operators representing chemical network systems via the existence and uniqueness theorems of spectral resolution. III

By extending the methodology given in Parts I and II of this series of articles, certain dynamical systems of chemical kinetic equations are analyzed in the setting of the Banach algebra B(ℬ︁) of all bounded operators acting on a Banach space ℬ︁. In this article, we proceed from the general setting of B(ℬ︁), which played a central role in Part II, toward its specific application to the dynamical systems. In our analysis, crucial initial steps are taken by (i) equipping the abstract space ℬ︁ with the “positive quadrant,” which we denote by Γ(ℝ⁺ⁿ), and by (ii) investigating the asymptotic behavior of the solution χ_ϵ(t) of the initial-value problem is suitably specified for our application purposes. The main theorem and its two specialized versions, together with the notions of Γ-semipositive operators and semipositive matrices presented here, serve as fundamental tools for the analysis of a class of dynamical systems of chemical kinetic equations whose examples were illustratively treated in the previous parts of this series of articles. The techniques developed here for an asymptotic analysis of chemical kinetic dynamical systems will be linked and unified with those for the asymptotic analysis of quantum mechanical systems in a forthcoming part of this series of articles. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 149–163, 1997     

Molecular anharmonicity: A computer-aided treatment

We present a new software package for the theoretical treatment of anharmonic vibrational spectra of nonlinear polyatomic molecules. The package, called “B&D,” computes vibrational energies starting from sets of force constants defined as potential energy derivatives. The method employed allows us to combine experimental rotation-vibration data with any information made available from ab initio calculations. The package follows the natural procedure in which a molecular problem is solved, both in the symbolic construction of Hamiltonian operator and basis functions and in the numerical computation of the Hamiltonian matrix elements. The novelty consists in making the entire procedure fully automatic, so that the occurrence of errors is greatly reduced and the laborious process involved in deriving and implementing the Hamiltonian is dramatically simplified. © 1999 John Wiley & Sons, Inc. J Comput Chem 20: 1716–1730, 1999     

On the Blum-Hanson theorem for quantum quadratic processes

In this paper an analog of the Blum-Hanson theorem for quantum quadratic processes on the von Neumann algebra is proved, i.e., it is established that the following conditions are equivalent:

Method for Finding the Exact Effective Hamiltonian of Time‐Driven Quantum Systems

Time‐driven quantum systems are important in many different fields of physics as cold atoms, solid state, optics, etc. Many of their properties are encoded in the time evolution operator or the effective Hamiltonian. Finding these operators usually requires very complex calculations that often involve some approximations. To perform this task, a systematic scheme that can be cast in the form of a symbolic computational algorithm is presented. It is suitable for periodic and non‐periodic potentials and, for convoluted systems, can also be adapted to yield numerical solutions. The method exploits the structure of the associated Lie group and a decomposition of the evolution operator on each group generator. To illustrate the use of the method, five examples are provided: harmonic oscillator with time‐dependent frequency (Paul trap), modulated optical lattice, time‐driven quantum oscillator, a step‐wise driving of a free particle, and the non‐periodic Caldirola‐Kanai Hamiltonian. To the extent of the authors' knowledge, whereas the exact form of Paul trap's evolution operator is well known, its effective Hamiltonian was until now unknown. The remaining four examples accurately reproduce previous results.     

Global weak solutions to Landau-Lifshitz equations into compact Lie algebras

We consider a parabolic system from a bounded domain in a Euclidean space or a closed Riemannian manifold into a unit sphere in a compact Lie algebra g; which can be viewed as the extension of Landau-Lifshitz (LL) equation and was proposed by V. Arnold. We follow the ideas taken from the work by the second author to show the existence of global weak solutions to the Cauchy problems of such LL equations from an n-dimensional closed Riemannian manifold T or a bounded domain in {ℝ}^n into a unit sphere {{\displaystyle S}}_g(\mathrm{1}) in g. In particular, we consider the Hamiltonian system associated with the nonlocal energy-micromagnetic energy defined on a bounded domain of {ℝ}^{\mathrm{3}} and show the initial-boundary value problem to such LL equation without damping terms admits a global weak solution. The key ingredient of this article consists of the choices of test functions and approximate equations.