Beyond Einstein's radiation theory

Einstein's radiation mechanism is generalized to account for the possibility of population inversion by placing a nonlinear bound on the growth of an unstable perturbation. The nonstationary linear mechanism of relaxation to blackbody radiation below threshold is studied. The nonstationary photon distribution is the negative binomial distribution, and casting it as a law of error, for which the most probable value is the mean value, gives the expression for the statistical entropy. The second law yields a nonequilibrium generalization of Planck's radiation law. The nonlinear mechanism leading to the transformation from the negative binomial probability distribution, for chaotic light, to a Poisson probability distribution, for coherent light, is then analyzed. A criterion for lasing is given in terms of the chemical potential of radiation which is compared to the inequality for the transition from quantum to classical statistics.     

Open-shell SCF calculations with a model potential method

A model potential proposed by Huzinaga and his coworkers has been incorporated into the generalized coupling operator for open-shell SCF. With this modified operator, valence-only calculations have been performed on the ground and Rydberg excited states of the water molecule and compared with the ab initio SCF results previously reported.     

Influence of tetraalkylammonium ions on structure of nonaqueous solvents

Summary The half-wave potentials of the redox system [Co(en)₃]³⁺/[Co(en)₃]²⁺ have been influenced by the tetraalkylamonium cation of the supporting electrolyte used. This was explained with the specific interactions (solvation) of the tetraalkylamonium ion with the nonaqueous solvent.

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Einfluß von Tetraalkylammoniumionen auf die Struktur nichtwäßriger Lösungsmittel (Kurze Mitt.)

Zusammenfassung Das Halbwellenpotential des Redoxsystems [Co(en)₃]³⁺/[Co(en)₃]²⁺ wird von Tetraalkylammonium-Ionen des Stützelektrolyten beeinflußt. Dies wird durch die spezifischen Wechselwirkungen (Solvatation) der Ionen mit dem nichtwäßrigen Lösungsmittel erklärt.

     

An application of hypervirial perturbation theory to calculate energy eigenvalues of the Morse potential for various diatomic molecules

The Schrödinger equation with the potentialV(r)=D[exp(?2β(r?r _e))?2exp(?β(r?r _e))] is treated in the framework of the hypervirial-renormalization parameter scheme. The energy eigenvalues of various eigenstates for different molecules are calculated.     

Theoretical and numerical analysis for the quasi-continuum approximation of a material particle model

In many applications materials are modeled by a large number of particles (or atoms) where any one of particles interacts with all others. Near or nearest neighbor interaction is expected to be a good simplification of the full interaction in the engineering community. In this paper we shall analyze the approximate error between the solution of the simplified problem and that of the full-interaction problem so as to answer the question mathematically for a one-dimensional model. A few numerical methods have been designed in the engineering literature for the simplified model. Recently much attention has been paid to a finite-element-like quasicontinuum (QC) method which utilizes a mixed atomistic/continuum approximation model. No numerical analysis has been done yet. In the paper we shall estimate the error of the QC method for this one-dimensional model. Possible ill-posedness of the method and its modification are discussed as well.

     

Note on the surface wave due to the prescribed elevation

In the present paper, a study of the deep-sea water wave caused by an oscillatory wind stress due to the atmospheric depression, resulting in spiral cyclonic wind pressure on the surface of the sea is made. It has been observed that the motion of the water wave in the case of wind stress exhibits a greater elevation on the sea surface asg the acceleration due to gravity decreases and maintains the oscillatory nature with the increase of time. For the case of spiral cyclonic motion for which the sea surface experiences the elliptical pressure on the surface, the motion diminishes asg diminishes and oscillates with the variation of time. The motion also diminishes asymptotically as the radius vector of the elliptical pressure approaches unity.     

声子之间相互作用对磁场中表面极化子的诱生势的影响

研究极性晶体中电子与表面光学(SO)声子和体纵光学(BO)声子耦合弱的表面磁极化子的性质,采用线性组合算符和微扰法导出了极性晶体中表面磁极化子的有效哈密顿量。讨论了反冲效应中不同波矢声子之间相互作用对表面磁极化子诱生势的影响。     

Effective potential for water vapour

A suitable temperature dependence is introduced into the force parameters of the Lennard-Jones potential by taking the free-energy average of the Rowlinson potential. The resulting temperature-dependent parameters are used to calculate the effective potential, which is plotted for water vapour at a few different temperatures. The temperature-dependence of the second virial coefficient is shown for the cases of temperature-independent and temperature-dependent parameters of which the latter agrees very well with experimental results.