Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Oxford University Press eBooks

Applications of Schrödinger’s equation

P. Anthony Cox

Published Jan 25, 1996• 0 citations
Publisher

Abstract

This chapter deals with some solutions of Schrödinger's equation in situations that are relatively simple, but which nevertheless have important applications in chemistry. Most of these deal with the quantization of energy. However, there is another remarkable prediction of quantum mechanics, known as tunnelling. In classical physics, kinetic energy cannot be negative; in other words, the total energy cannot be less than the potential energy. Schrödinger's equation can, however, be solved when this is the case. In some situations, these solutions are physically significant. The chapter then looks at the harmonic oscillator, which is one of the most important elementary models in mechanics, and is especially relevant in chemistry in connection with the vibration of molecules. It also considers rotations and angular momentum.

DOI
10.1093/hesc/9780198559160.003.0003

Related papers

Wave Mechanics and Its Simple Applications

Ajay Sharma

The Schrödinger equation assumes that a particle behaves as a wave and yields a solution in terms of wave function and the energy of the particle under consideration. Once the wave function is known, then everything about the particle can be deduced from the wave function. This chapter covers the development of the Schrödinger wave equation and its applications to one-dimensional systems. Time-dependent and time-independent Schrödinger equations, bound and scattering states, probability density, probability current and expectation values, the solution of the time-independent 1D-Schrödinger equation for a free particle, infinite as well as finite potential wells, potential steps, and the finite potential barrier are discussed in detail in the chapter. The phenomenon of tunneling, relevance and the importance of the free particle, potential wells and potential barriers to contemporary fields of physics and chemistry, periodic solids and their band structures, the Kronig-Penney model, confined states in quantum wells, and wires and dots are other topics presented in innovative manners in the chapter. The importance of the topics presented here is demonstrated through carefully chosen solved examples and unsolved exercises from contemporary fields of sciences.

CRC Press eBooks•Jun 18, 2021•0 citations

The quantum-mechanical harmonic oscillator

Francisco Marcelo Fernández, Eduardo Alberto Castro

The harmonic oscillator is a useful model for the interpretation of many physical phenomena. It is used as a first approximation to the vibration of molecules and crystal lattices and for the quantization of electromagnetic fields, among other applications. One can solve the time-independent Schrodinger equation for the harmonic oscillator in many different ways; operator methods give rise to recurrence relations and generating functions for the stationary states. The coordinate representation renders the coordinate operator diagonal. In this particular representation the eigenvectors of the harmonic oscillator are functions of the coordinate that are commonly expressed in terms of Hermite polynomials. The chapter shows that calculation with the eigenfunctions of the harmonic oscillator is remarkably simple in the realm of the Lie algebras. The application of the bosonic algebra in theoretical physics and chemistry is so vast that it is impossible even to give a reasonable summary. An important application of the bosonic algebra is the modeling of simple quantum-mechanical systems.

CRC Press eBooks•Jan 16, 2020•0 citations

Applications of Schrödinger Equation: Potential (Quantum) Wells

Z. Ficek

The wave nature of particles plays an important role in their physical properties that, for example, particles confined into a small bounded area can have only particular discrete energies. This chapter explains how to solve the time-independent Schrodinger equation. It considers four cases of a one-dimensional motion of particles confined in potentials rapidly changing with x : infinite potential quantum well; a potential step; square-well potential; and tunneling through a potential barrier. The chapter helps to learn the characteristic properties of solutions to this equation. It shows the differences between the predictions of quantum mechanics and classical physics. Quantum tunneling is important in the understanding of a number of physical phenomena such as thermonuclear reactions and conduction in metals and semiconductors. The most advanced application of quantum tunneling is the scanning tunneling microscope. The details of the calculations are left for the readers as a tutorial problem.

•Mar 3, 2017•0 citations

Playing with the Schrödinger Equation

Ram Yatan Prasad, Pranita

This chapter exclusively deals with the application of Schrödinger equation on various systems such as the particle in a box; the particle in a rectangular three-dimensional box; energy levels for a cubic potential box; the tunnel effect; the final equation for tunnel effect, that is, transparency factor which gives a clue to understand that the probability of transmission decreases rapidly as the width of the barrier increases; quantum mechanical explanation of emission of α -particle; the particle on a ring considering spherical polar co-ordinates; and the particle on sphere. This chapter also comprises the Legendre polynomials, associated Legendre equation, associated Legendre function and spherical harmonics, Hermite polynomials and its applications, and orthogonal properties of Hermite polynomials. It also provides the standard topics like simple linear harmonic oscillator, and its classical and quantum mechanical treatment which also includes the asymptotic and series solutions and energy levels of a linear harmonic oscillator. The Schrödinger equation also plays with rigid rotors comprising its rigorous treatment and also the F and T equations which are very important. The chapter ends with the references, standard several computational problems, questions on concepts, and also standard numerical problems for the benefits of the readers.

CRC Press eBooks•Jan 15, 2021•0 citations

Rotational motion and the hydrogen atom

Peter Joshua Atkins, Ronald Friedman

This chapter considers the quantum mechanics of translation and vibration. Both types of motion can be solved in certain cases, and both are important not only in their own right but also because they form a basis for the description of more complicated types of motion. It mentions translational motion, which has the advantage of introducing in a simple way many of the striking features of quantum mechanics. The chapter describes certain features of wavefunctions that are common to all the problems. The combination of features of wavefunctions with the solution of the Schrödinger equation results in one of the most characteristic features of quantum mechanics, the quantization of energy.

Oxford University Press eBooks•Nov 11, 2010•0 citations

Applications of the Formalism-II

Shabnam Siddiqui

In this chapter, the authors solve the Schrodinger equation for a harmonic oscillator using two methods, analytical method and algebraic method. They discuss the quantum properties of the harmonic oscillator. A harmonic oscillator is a system that exhibits simple harmonic motion or periodic motion, a motion that repeats itself after equal intervals of time. Many systems such as spring, simple pendulum, vibrating string and molecular vibration can be approximated as simple harmonic oscillators. The authors consider a simple harmonic oscillator, a spring whose spring constant is "k" attached to a mass "m" as a simple harmonic oscillator. They describe the Schrodinger equation in spherical coordinates. The authors also solve the three-dimensional Schrodinger equation for the hydrogen atom. For the hydrogen atom, the potential energy function is dependent only on radial distance and is independent of angular variables. The hydrogen atom consists of a positively charged proton surrounded by an electron that orbits around it.

CRC Press eBooks•Oct 10, 2018•0 citations
This chapter deals with some solutions of Schrödinger's equation in situations that are relatively simple, but which nevertheless have important applications in chemistry. Most of these deal with the quantization of energy. However, there is another remarkable prediction of quantum mechanics, known as tunnelling. In classical physics, kinetic energy cannot be negative; in other words, the total energy cannot be less than the potential energy. Schrödinger's equation can, however, be solved when this is the case. In some situations, these solutions are physically significant. The chapter then looks at the harmonic oscillator, which is one of the most important elementary models in mechanics, and is especially relevant in chemistry in connection with the vibration of molecules. It also considers rotations and angular momentum.
The Schrödinger equation assumes that a particle behaves as a wave and yields a solution in terms of wave function and the energy of the particle under consideration. Once the wave function is known, then everything about the particle can be deduced from the wave function. This chapter covers the development of the Schrödinger wave equation and its applications to one-dimensional systems. Time-dependent and time-independent Schrödinger equations, bound and scattering states, probability density, probability current and expectation values, the solution of the time-independent 1D-Schrödinger equation for a free particle, infinite as well as finite potential wells, potential steps, and the finite potential barrier are discussed in detail in the chapter. The phenomenon of tunneling, relevance and the importance of the free particle, potential wells and potential barriers to contemporary fields of physics and chemistry, periodic solids and their band structures, the Kronig-Penney model, confined states in quantum wells, and wires and dots are other topics presented in innovative manners in the chapter. The importance of the topics presented here is demonstrated through carefully chosen solved examples and unsolved exercises from contemporary fields of sciences.
The harmonic oscillator is a useful model for the interpretation of many physical phenomena. It is used as a first approximation to the vibration of molecules and crystal lattices and for the quantization of electromagnetic fields, among other applications. One can solve the time-independent Schrodinger equation for the harmonic oscillator in many different ways; operator methods give rise to recurrence relations and generating functions for the stationary states. The coordinate representation renders the coordinate operator diagonal. In this particular representation the eigenvectors of the harmonic oscillator are functions of the coordinate that are commonly expressed in terms of Hermite polynomials. The chapter shows that calculation with the eigenfunctions of the harmonic oscillator is remarkably simple in the realm of the Lie algebras. The application of the bosonic algebra in theoretical physics and chemistry is so vast that it is impossible even to give a reasonable summary. An important application of the bosonic algebra is the modeling of simple quantum-mechanical systems.
The wave nature of particles plays an important role in their physical properties that, for example, particles confined into a small bounded area can have only particular discrete energies. This chapter explains how to solve the time-independent Schrodinger equation. It considers four cases of a one-dimensional motion of particles confined in potentials rapidly changing with x : infinite potential quantum well; a potential step; square-well potential; and tunneling through a potential barrier. The chapter helps to learn the characteristic properties of solutions to this equation. It shows the differences between the predictions of quantum mechanics and classical physics. Quantum tunneling is important in the understanding of a number of physical phenomena such as thermonuclear reactions and conduction in metals and semiconductors. The most advanced application of quantum tunneling is the scanning tunneling microscope. The details of the calculations are left for the readers as a tutorial problem.
This chapter exclusively deals with the application of Schrödinger equation on various systems such as the particle in a box; the particle in a rectangular three-dimensional box; energy levels for a cubic potential box; the tunnel effect; the final equation for tunnel effect, that is, transparency factor which gives a clue to understand that the probability of transmission decreases rapidly as the width of the barrier increases; quantum mechanical explanation of emission of α -particle; the particle on a ring considering spherical polar co-ordinates; and the particle on sphere. This chapter also comprises the Legendre polynomials, associated Legendre equation, associated Legendre function and spherical harmonics, Hermite polynomials and its applications, and orthogonal properties of Hermite polynomials. It also provides the standard topics like simple linear harmonic oscillator, and its classical and quantum mechanical treatment which also includes the asymptotic and series solutions and energy levels of a linear harmonic oscillator. The Schrödinger equation also plays with rigid rotors comprising its rigorous treatment and also the F and T equations which are very important. The chapter ends with the references, standard several computational problems, questions on concepts, and also standard numerical problems for the benefits of the readers.
This chapter considers the quantum mechanics of translation and vibration. Both types of motion can be solved in certain cases, and both are important not only in their own right but also because they form a basis for the description of more complicated types of motion. It mentions translational motion, which has the advantage of introducing in a simple way many of the striking features of quantum mechanics. The chapter describes certain features of wavefunctions that are common to all the problems. The combination of features of wavefunctions with the solution of the Schrödinger equation results in one of the most characteristic features of quantum mechanics, the quantization of energy.
In this chapter, the authors solve the Schrodinger equation for a harmonic oscillator using two methods, analytical method and algebraic method. They discuss the quantum properties of the harmonic oscillator. A harmonic oscillator is a system that exhibits simple harmonic motion or periodic motion, a motion that repeats itself after equal intervals of time. Many systems such as spring, simple pendulum, vibrating string and molecular vibration can be approximated as simple harmonic oscillators. The authors consider a simple harmonic oscillator, a spring whose spring constant is "k" attached to a mass "m" as a simple harmonic oscillator. They describe the Schrodinger equation in spherical coordinates. The authors also solve the three-dimensional Schrodinger equation for the hydrogen atom. For the hydrogen atom, the potential energy function is dependent only on radial distance and is independent of angular variables. The hydrogen atom consists of a positively charged proton surrounded by an electron that orbits around it.