Energy quantized

All solutions of the Schroedinger equation lead to a set of integers called quantum numbers. In the case of the particle in a box, the quantum numbers are n= 1,2,3,. The allowed (quantized) energies are related to the quantum numbers by the equation... 

It is important to stress that it is the imposition of boundary conditions, expressing the fact that the electron is spatially constrained, that gives rise to quantized energies. In the absence of spatial confinement, or with confinement only at x =0 or Lx or only at y =0 or Ey, quantized energies would not be realized. 

These are the same quantized energy levels that arose when the wavefunetion boundary eonditions were matehed at x = 0, x = Lx and y = 0, y = Ly. In this ease, one says that the Bohr-Sommerfeld quantization eondition ... 

This technique for finding a weighted average is used for ideal gas properties and quantum mechanical systems with quantized energy levels. It is not a convenient way to design computer simulations for real gas or condensed-phase... 

For reactions between atoms, the computation needs to model only the translational energy of impact. For molecular reactions, there are internal energies to be included in the calculation. These internal energies are vibrational and rotational motions, which have quantized energy levels. Even with these corrections included, rate constant calculations tend to lose accuracy as the complexity of the molecular system and reaction mechanism increases. 

Quasiclassical calculations are similar to classical trajectory calculations with the addition of terms to account for quantum effects. The inclusion of tunneling and quantized energy levels improves the accuracy of results for light atoms, such as hydrogen transfer, and lower-temperature reactions. 

Principles of Molecular Spectroscopy Quantized Energy States... 

PRINCIPLES OF MOLECULAR SPECTROSCOPY QUANTIZED ENERGY STATES... 

Four types of transitions between quantized energy levels account for molecular UV/Vis spectra. The approximate wavelength ranges for these absorptions, as well as a partial list of bonds, functional groups, or molecules that give rise to these transitions is shown in Table 10.5. Of these transitions, the most important are the n and TZ —> TZ, because they involve functional groups that are characteristic... 

The equipartition principle is a classic result which implies continuous energy states. Internal vibrations and to a lesser extent molecular rotations can only be understood in terms of quantized energy states. For the present discussion, this complication can be overlooked, since the sort of vibration a molecule experiences in a cage of other molecules is a sufficiently loose one (compared to internal vibrations) to be adequately approximated by the classic result. 

Chemistry students are familiar with spectrophotometry, the qualitative and quantitative uses of which are widespread in contemporary chemistry. The various features of absorption spectra are due to the absorption of radiation to promote a particle from one quantized energy state to another. The scattering phenomena we discuss in this chapter are of totally different origin classical not quantum physics. However, because of the relatively greater familiarity of absorption spectra, a comparison between absorption and scattering is an appropriate place to begin our discussion. 

Translational energy, which may be directly calculated from the classical kinetic theory of gases since the spacings of these quantized energy levels are so small as to be negligible. The Maxwell-Boltzmann disuibution for die kinetic energies of molecules in a gas, which is based on die assumption diat die velocity specuum is continuous is, in differential form. 

On the other hand, even in particle systems the coulomb blockade (Van Bentum et al. 1988a) and the coulomb staircase (Van Bentum et al. 1988b) were observed, some nonlinear effects were observed in the current-voltage characteristics (Wilkins et al. 1989), and behavior related to the quantized energy levels inside the particles was described (Crom-mie et al. 1993, Dubois et al. 1996). 

A ball on a staircase shows some properties of quantized energy states. 

Absorption and emission spectroscopies provide experimental values for the quantized energies of atomic electrons. The theory of quantum mechanics provides a mathematical explanation that links quantized energies to the wave characteristics of electrons. These wave properties of atomic electrons are described by the Schrddinger equation, a complicated mathematical equation with numerous terms describing the kinetic and potential energies of the atom. 

The Schrodinger equation has solutions only for specific energy values, hi other words, the energy of an atom is quantized, restricted to certain values. For each quantized energy value, the Schrodinger equation generates a wave function that describes how the electrons are distributed in space. 

The emission spectra of He and reveal transitions at characteristic energies. The emitted photons have different wavelengths and energies because iHe has quantized energy levels that are different from those of l ... 

The free electron resides in a quantized energy well, defined by k (in wave-numbers). This result Ccm be derived from the Schroedinger wave-equation. However, in the presence of a periodic array of electromagnetic potentials arising from the atoms confined in a crystalline lattice, the energies of the electrons from all of the atoms are severely limited in orbit and are restricted to specific allowed energy bands. This potential originates from attraction and repulsion of the electron clouds from the periodic array of atoms in the structure. Solutions to this problem were... 

B Bohr s orbits that explained hydrogen s quantized energy states... 

Solving equation (6.21) for the energy E and replacing A by n, we obtain the quantized energy levels for the hydrogen-like atom... 

The model of metal-ammonia solutions that has emerged is based on ionization of the metal atoms to produce metal ions and electrons that are both solvated. The solvated electron is believed to reside in a cavity in ammonia, and thus it may behave as a particle in a three-dimensional box with quantized energy levels. Transitions between the energy levels may give rise to absorption of light and thereby cause the solutions to be colored. The dissolution process can be represented as... 

In fact, electron transfer occurs at the microscopic level where quantum mechanics provides the necessary description of the phenomenon (5-13). In the quantum mechanical solution, associated with the potential curves in Figure 1 are quantized energy levels, Ej = (vj + 1/2) 100., where Vj and 2ttvj are the vibrational... 

Figure 10.9. (a) Schematic structure of a silicon quantum dot crystal and (b) its calculated electronic structure as a function of interparticle distance H. The size of the nanoparticles is L = 6.5 nm. At small H, a splitting of the quantized energy levels of single dots results in the formation of three-dimensional minibands. Reproduced from Ref. 64, Copyright 2001, with permission from the American Institute of Physics. 

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