This chapter physical properties of the hydrogen atom and its Hamiltonian function as a particle in a spherically symmetric potential having a wave function as a product of the radial function and spherical harmonic function. Hereafter, it comes to two independent wave equations: the radial equation and the angular equation. After some derivation, it is shown that the angular equation is a product of the azimuthal angle equation and polar angle equation (as discussed in the previous chapter). The azimuthal angle equation is similar to the particle in a ring problem from the previous chapter and after some derivation the polar angle equation becomes an associated Legendre equation with well-known polynomials as solutions. Next, the solution to the radial equation is presented which becomes after some derivation an associated Laguerre equation with well-known polynomials as solutions and from this result is obtained the energy equation for the hydrogen-like atom. Subsequently, it is derived the normalization constant of the radial function. Afterwards, the numerical analysis of the radial equation of the hydrogen atom along with its corresponding Fortran code is presented. Finally, the hydrogen atomic orbitals equations and plots are depicted followed by the fine structure of the hydrogen (198 words).
This chapter physical properties of the hydrogen atom and its Hamiltonian function as a particle in a spherically symmetric potential having a wave function as a product of the radial function and spherical harmonic function. Hereafter, it comes to two independent wave equations: the radial equation and the angular equation. After some derivation, it is shown that the angular equation is a product of the azimuthal angle equation and polar angle equation (as discussed in the previous chapter). The azimuthal angle equation is similar to the particle in a ring problem from the previous chapter and after some derivation the polar angle equation becomes an associated Legendre equation with well-known polynomials as solutions. Next, the solution to the radial equation is presented which becomes after some derivation an associated Laguerre equation with well-known polynomials as solutions and from this result is obtained the energy equation for the hydrogen-like atom. Subsequently, it is derived the normalization constant of the radial function. Afterwards, the numerical analysis of the radial equation of the hydrogen atom along with its corresponding Fortran code is presented. Finally, the hydrogen atomic orbitals equations and plots are depicted followed by the fine structure of the hydrogen (198 words).
This chapter begins with the simple solution of the Schrödinger equation for hydrogen atom for which the energy value has been derived. The Bohr radius of H atom has also been computed. After this, this chapter provides the generalised solution of the Schrödinger equation for H atom/hydrogen-like species in which F equation, R equation, and T equations have been derived in a simple and lucid way. This chapter also deals with the Laguerre differential equation, Laguerre polynomials, Rodrigues formula for the Laguerre polynomials, Laguerre associated equation and its solution, associated Laguerre polynomials, Rodrigues formula for the associated Laguerre polynomials, and solution of the radial equation. It also provides normalisation of the radial wave function and complete wave function; for the hydrogen atom, hydrogenic atomic orbital; electron density of 1 s electron; mathematical background of shape of orbitals; the most probable distance of electron from nucleus of hydrogen atom, and average distance of electron from the nucleus of hydrogen atom. The end of this chapter describes the references and adequate computational problems (solved problems and question on concepts).
In this chapter we solve the radial TISE for the case of a radial potential, specifically the radial potential of an electron attracted to the proton which is the nucleus of a hydrogen atom. Again, we rely on solutions to a related equation solved by a French mathematician, this time named Laguerre, whose polynomials are, in this chapter, multiplied by a simple exponential function to produce the radial wave functions. These functions contain the principle quantum number, which corresponds to the row number in the periodic table. Multiplying these radial solutions by the spherical harmonics from Chapter 14 produces the full three-dimensional solutions for the hydrogen atom, also known as the atomic orbitals. The relationship between the quantum numbers n , l , and m arise naturally from the possible combinations of radial solutions with spherical harmonics.
Abstract In this chapter, we go to three dimensions in space and look at the solution of the time independent Schrödinger equation for the hydrogen atom. The Hamiltonian is then the kinetic energy plus the potential energy due to the Coulomb coupling between the positively charged nucleus and the electron. We construct the angular momentum operator and find that the partial differential equation for the angular momentum eigenfunctions of the spherical coordinates θ,ϕ is the same as the angular part of the ∇2 operator in spherical coordinates. The angular momentum eigenfunctions are the spherical harmonics, with two quantum numbers, l and m, and the solution to the radial part of the Hamiltonian including the Coulomb potential are Laguerre polynomials with one quantum number, called the principle quantum number, n. The hydrogen wave function is the product of a Laguerre polynomial and a spherical harmonic with three quantum numbers. Since these are two- and three-dimensional functions for angular momentum and hydrogen respectively, they are best understood in a series of plots. The chapter concludes by giving the historical letter names to specific orbitals, since they continue to be used today.
Abstract This chapter reiterates the quantum numbers for atomic orbitals, known from general chemistry, and places them into the context developed so far. It is sketched how the Schrodinger equation (SE) for the hydrogen atom hydrogen-like systems (one electron plus a nucleus of charge Z) is set up. When the nucleus is treated as a fixed point charge, the SE is only for the electron. The solutions of the SE can be obtained by switching to spherical polar coordinates, such that the variables are separable in terms of the electron distance from the nucleus, r, and two angles. The kinetic energy of the electron then has a radial component, and an angular component. The latter is associated with the angular momentum quantum number, which is codified by the letters s, p, d, f, and so forth. A step by step solution of the SE is provided later, in chapter 19.
The lightest and simplest arrangement of protons and electrons is a hydrogen atom. One of the wave characteristics of an atom can be known using the Schrodinger equation. Schrodinger's equations of spherical coordinates consist of radial equations and angular equations. Quantum numbers 4≤ n ≤ 5from the Schrodinger equation sphere coordinates produce different angular wave functions. To find out the angular wave equation using normalization conditions . Based on the normalization conditions for n = 4 a wave function is produced , while for n = 5 a wave function is .
This chapter discusses the classic circular motion as a basis for the circular motion of a particle. The derivation of the bidimensional Laplace operator in polar coordinate system is presented next in order to solve the Schrödinger equation of the particle in a ring (whose wave function is a part of the solution of the hydrogen atom). Subsequently, there appears the derivation of the wave equation for the particle in a ring which leads to an energy equation and its comparison with the classic equation of the angular momentum leads to the corresponding quantum angular momentum equation. Afterwards, there appears the derivation of the angular momentum in spherical polar coordinate which is part of the tridimensional Laplace operator in spherical polar coordinate which is obtained in the next section. Then, the tridimensional Laplace operator in spherical polar coordinate is used in Schrödinger equation of the particle in a sphere (a product of angular equation and azimuthal equation) where the azimuthal equation was already solved (from the particle in a ring given in a previous section) and then this section is devoted to derive the angular or polar equation and the corresponding quantum angular momentum equation. (195 words).