The theory of the one-dimensional (1D) hydrogen atom was initiated by a 1952 paper but, after more than 60 years, it remains a topic of debate and controversy. The aim here is a critique of the current status of the theory and its relation to relevant experiments. A 1959 solution of the Schrödinger equation by the use of a cut-off at x = a to remove the singularity at the origin in the 1/| x | form of the potential is clarified and a mistaken approximation is identified. The singular atom is not found in the real world but the theory with cut-off has been applied successfully to a range of four practical three-dimensional systems confined towards one dimension, particularly their observed large increases in ground state binding energy. The true 1D atom is in principle restored when the short distance a tends to zero but it is sometimes claimed that the solutions obtained by the limiting procedure differ from those obtained by solution of the basic Schrödinger equation without any cut-off in the potential. The treatment of the singularity by a limiting procedure for applications to practical systems is endorsed.
The theory of the one-dimensional (1D) hydrogen atom was initiated by a 1952 paper but, after more than 60 years, it remains a topic of debate and controversy. The aim here is a critique of the current status of the theory and its relation to relevant experiments. A 1959 solution of the Schrödinger equation by the use of a cut-off at x = a to remove the singularity at the origin in the 1/| x | form of the potential is clarified and a mistaken approximation is identified. The singular atom is not found in the real world but the theory with cut-off has been applied successfully to a range of four practical three-dimensional systems confined towards one dimension, particularly their observed large increases in ground state binding energy. The true 1D atom is in principle restored when the short distance a tends to zero but it is sometimes claimed that the solutions obtained by the limiting procedure differ from those obtained by solution of the basic Schrödinger equation without any cut-off in the potential. The treatment of the singularity by a limiting procedure for applications to practical systems is endorsed.
The Schrödinger, Klein–Gordon, and Dirac equations for the hydrogen atom are solved in D dimensions, where D may be noninteger. For D=1 the nondegenerate ground state with infinite binding energy is obtained as a limit as D tends to 1 for the Schrödinger equation. The corresponding solution of the Klein–Gordon equation is shown to be unacceptable, contradicting previous work. Unexpectedly, no bound state solutions of the Dirac equation with D=1 are found at all. A few comments are made on the D=3 and 2 cases.
In the previous chapter we saw that for a particle in a one-dimensional potential well, physically acceptable solutions to the one-dimensional Schro¨dinger equation are possible only for particular discrete values of the total energy. Moreover, in the case of an electron in a well of atomic dimensions, the spacings between these energy levels are in qualitative agreement with the separations experimentally observed in atoms; we also interpreted the square of the wave function as a probability distribution for the position of the particle. These ideas led us to phenomena, such as quantum-mechanical tunnelling, that have been observed experimentally. The real world, however, is three-dimensional and, although one-dimensional examples often provide useful insights and analogies, we shall have to extend our theory into three dimensions before we can make quantitative predictions of most experimental results. In the present chapter, therefore, we shall set up the three-dimensional Schro¨dinger equation and obtain its solutions in a number of cases, culminating in a discussion of the hydrogen atom where we shall find that theory and experiment agree to a remarkable degree of accuracy.
Abstract In this chapter we consider the time-independent Schrödinger equation for three spatial dimensions. Making use of the orbital angular momentum observables, including the Laplacian in spherical polar coordinates, and introducing an effective potential, we recast the three-dimensional Schrödinger as a one-dimensional differential equation for the reduced radial wave function. In this context we discuss conditions for the existence of bound states and an upper bound on the ground-state energy obtained from the Rayleigh-Ritz variational principle. As an example we then consider the bound-state solutions for the spherical potential well and discuss the conditions for it admitting a ground state. We then turn to the Coulomb potential representing the hydrogen atom and discuss methods for obtaining upper and lower bounds on the ground-state energy to explain the stability of matter. Finally, obtain the Laguerre-polynomial solutions of the radial Schrödinger equation for the hydrogen atom, determine their energies and discuss their properties
The hydrogen atom is the gateway atom for the development of the quantum mechanics of all atoms, and hence all molecules, and hence all nanostructures. A more conservative analysis of the hydrogen atom just identifies the approximations that caused the classical analysis to go badly, and removes those approximations. The basic approach to the hydrogen atom that can be characterized as follows: take account of all processes that can be identified, and look for a natural balance between them. There exist other research areas awaiting further application of this approach. Hydrogen atoms, and all other atoms as well, are presently envisioned as having infinitely many ‘excited states’ that are described via the multiple solutions of Schrodinger’s differential equation for the atom. These excited states are presently understood as conditions that an individual atom possesses. The ionization potential of helium is very high–the highest among all elements. It invites the interpretation that electrons very much like to form a pair.
The Schrödinger equation is the cornerstone of quantum mechanics and is used to determine the energy levels of the hydrogen atom. However, in the teaching of Quantum Chemistry, many students tend to regard the solutions of the Schrödinger equation as purely mathematical results without fully understanding the physical origin of quantum energy levels. In this paper, an approximate model of the hydrogen atom is first developed based on the Heisenberg uncertainty principle and the Coulomb potential. This model is then used to derive the Bohr radius and the ground-state energy by minimizing the total energy function. Subsequently, the time-independent Schrödinger equation is formulated and solved by the method of separation of variables in spherical coordinates to obtain the exact energy spectrum of the hydrogen atom. The results demonstrate that both the approximate model and the exact solution predict the same ground-state energy, E1 = −13.6 eV, while the Schrödinger equation further generalizes this result to the quantized energy spectrum, En = −13.6/n2. These findings indicate that the solutions of the Schrödinger equation are not "miraculous" mathematical outcomes but rather the inevitable consequences of the fundamental principles of quantum mechanics. This approach provides a clearer physical interpretation of quantum energy levels and offers significant pedagogical value for the teaching of Quantum Chemistry.
This chapter focuses on the hydrogen atom, which is the most important chemical application of the quantum theory. The hydrogen atom was Erwin Schrödinger's immediate goal when he developed his equation, and the solution obtained in 1926 persuaded him and indeed most interested physicists that his theory was successful. Indeed, the solutions of Schrödinger's equation — known as atomic orbitals — form the basis of our understanding, not only of atomic structure, but also of chemical bonding in molecules and solids. The chapter begins by considering the Rutherford–Bohr atom. It then looks at hydrogenic ions. The solutions described in the chapter are 'exact', in the mathematical sense that they can be obtained from the Schrödinger's equation without approximation. However, they are not quite 'correct', because this equation does not truly describe a real hydrogen atom.