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arXiv:1904.09830

About One Interesting and Important Model in Quantum Mechanics II. Thermodynamic Description

Yu. G. Rudoy, Enock Oluwole Oladimeji

Published Mar 13, 2019• 4 citations
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Abstract

In this paper the detailed investigation of one of the most interesting models in the non relativistic quantum mechanics of one massive particle i.e., introduced by G. Poeschl and E. Teller in 1933 is continued; the starting point of dynamic analysis for potentials, wave functions and energy spectrum was carried on by the same authors in the paper. The generalization of these results on the case of nonzero temperature includes the approximate calculation of the partition function of the model and then also the Massieu Planck thermodynamic potential and its most important derivatives, i.e. internal energy, heat capacity and pressure. The analysis of the results is carried on separately for low and high temperature regions because of the lack of exact unifying expressions of the potential at all temperatures.

DOI
10.48550/arxiv.1904.09830

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In this paper the detailed investigation of one of the most interesting models in the non relativistic quantum mechanics of one massive particle i.e., introduced by G. Poeschl and E. Teller in 1933 is continued; the starting point of dynamic analysis for potentials, wave functions and energy spectrum was carried on by the same authors in the paper. The generalization of these results on the case of nonzero temperature includes the approximate calculation of the partition function of the model and then also the Massieu Planck thermodynamic potential and its most important derivatives, i.e. internal energy, heat capacity and pressure. The analysis of the results is carried on separately for low and high temperature regions because of the lack of exact unifying expressions of the potential at all temperatures.
In this paper the detailed investigation of one of the most interested models in the non relativistic quantum mechanics of one massive particle i.e., introduced by G. Poeschl and E. Teller in 1933 is presented. This model includes as particular cases two most popular and valuable models: the quasi free particle in the box with impenetrable hard walls (i.e., the model with confinement) and Bloch quantum harmonic oscillator, which is unconfined in space; both models are frequently and effectively exploited in modern nanotechnology e.g., in quantum dots and magnetic traps. We give the extensive and elementary exposition of the potentials, wave functions and energetic spectra of all these interconnected models. Moreover, the pressure operator is defined following the lines of G. Helmann and R. Feynman which were the first who introduced this idea in the late 30ies in quantum chemistry. By these means the baroenergetic equation of state is obtained and analyzed for all three models; in particular, it is shown the absence of the pressure for the Bloch oscillator due to the infinite width of the box. The generalization of these results on the case of nonzero temperature will be given later.
The quantum-mechanical properties of the strongly non-linear quantum oscillator in the Pöeschl-Teller model are considered. In the first place, the energy spectrum and its dependence upon the confinement parameter (i.e., the width of the “box”) are studied. Moreover, on the grounds of the Hellman-Feynman theorem the pressure operator in this model is obtained and (along with the energy spectrum) is studied in two main approximations: the “particle in the box” and “linear (harmonic) oscillator” for large and low values of the main quantum number; the critical value is also evaluated. Semi-classical approximation as well as perturbation theory for the Pöeschl-Teller are also considered. The results obtained here are intended for future thermodynamic calculations: first of all, for the generalization of the well-known Bloch result for the linear harmonic oscillator in the thermostat. To this end, the density matrix for the Pöeschl-Teller oscillator will be calculated and the full Carnot cycle conducted.
The quantum statistical mechanics of an ideal relativistic Bose gas of massive particles is discussed. The thermodynamic functions of the system are obtained from the exact expression for the logarithm of the grand partition function. The correct procedure for carrying out the non-relativistic and ultra-relativistic limits is presented. The limitations and errors of previous calculations which relied on the binomial expansion of the density of states are pointed out. It is shown that the behaviour of the system in the limit of zero temperature is dominated by the non-relativistic effects.
The thermodynamic properties of a system consisting of a small number of non-interacting indistinguishable particles in the temperature range where the transition from quantum to classical behaviour occurs are discussed. The system is an extrapolation of a perfect monatomic boson gas contained in a box. We calculate the internal energy, specific heat and entropy and discuss their dependence on various factors such as the temperature, the number of particles and the box dimensionality. The results are compared with those obtained for a system consisting of distinguishable particles. The calculations are carried out without approximation starting from first principles, and the results have general validity since reduced units are used.
The author presents his experience in teaching at a graduate level the quantal exposition of a new non-statistically based paradigm of physics and thermodynamics. This paradigm, called the Unified Quantum Theory of Mechanics and Thermodynamics, applies to all systems large or small (including one particle systems) either in a state of thermodynamic (i.e. stable) equilibrium or not in a state of thermodynamic equilibrium. It uses as its primitives inertial mass, force, and time and introduces the laws of thermodynamics in the most unambiguous and general formulations found in the literature. Starting with a precise definition of system and of state followed by statements and corollaries of the laws of thermodynamics, the thermodynamic formalism is developed without circularity and ambiguity. In this quantal exposition of the new paradigm, a brief review of the formalism of thermodynamics as a general science not limited to stable equilibrium and large (macroscopic) systems as well as a very brief summary of the three prevalent formalisms in classical physics are presented followed by a presentation and development of solutions for a number of elementary problems in quantum physics (e.g., a particle in a box, a harmonic oscillator, a rigid rotor, etc.). These solutions and the maximum entropy principle are then used in a constrained optimization to develop the canonical and grand canonical distributions for Fermi-Dirac and Bose-Einstein types of particles, i.e. for fermions and bosons. This is done without the use of analogies between statistical and thermodynamic results and without additional hypotheses such as the ergodic hypothesis of statistical mechanics. These distributions are then employed under various assumptions (i.e. the Boltzmann, constant-potential, point-particle, and continuous eigenvalue-spectrum approximations) to derive the corresponding thermodynamic property expressions for perfect, semi-perfect (ideal), and Sommerfeld gases as well as for mixtures of ionized and dissociated gases. In a similar fashion but with a change from a single- to a multi-particle partition function and with the addition of various inter-particle potentials for two-particle interactions (e.g., the Lennard-Jones potential, the square-well potential, etc.), expressions for the thermodynamic properties of dense gases are developed and presented.An initial version of this paper was published inJuly of 2006 in the proceedings of ECOS’06, AghiaPelagia, Crete, Greece.
Based on the semiclassical(Thomas-Fermi) approximation,the macrocanonical partition function and macrocanonical potential of a relativistic Fermi gas in a general external potential in any dimensional space are studied.The general analytical expressions of the total particle number N,total energy U and heat capacity C have been derived with thermodynamic fundamental equations,where N,U and C are expressed by the modified Bessel function.Moreover,the analytical expressions of the total energy,chemical potential and heat capacity in the high-and low-temperature approximations are given.From these results,how the characteristics of the Fermi gas depend on various factors is discussed.