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

Quantum description of nuclear ensembles

Paul T. Callaghan

Published Sep 15, 2011• 0 citations
Publisher

Abstract

This chapter outlines the quantum ideas that underpin magnetic resonance and explains their link to classical physics. It discusses some of the essential concepts governing the quantum behaviour of ensembles of nuclear spins, including the nature of quantum states, the eigenvalue equation and observables, the measurement process, dynamics, and the Schroedinger equation. A detailed description of angular momentum is given along with discussion of the role of symmetry, rotation operators, and both product and total angular momentum representations. Statistical ensembles of spins are introduced and the density matrix and Liouville formalism outlined, along with the various tensor bases for the description of spin systems, both independent and coupled. The spin Hamiltonian is described in detail and the evolution of spin systems under various Hamiltonian terms is discussed using the density matrix description, along with suitable recession diagrams.

DOI
10.1093/acprof:oso/9780199556984.003.0003

Related papers

The Quantum Mechanics of Angular Momentum

Angular momentum is essential to any advanced discussion of magnetic resonance spectroscopy. A brief history of the modern sub-atomic particle-spin concept is presented. The origin of the spin-1/2 angular momentum quantum number is detailed and angular momentum operators are constructed for spin-1/2 nuclei using the postulates of quantum mechanics that are then used to produce a set of very useful eigenvalue formulas. Angular momentum operators in spherical coordinate form are developed and operator matrices are constructed from Cartesian operators. The time-evolution of these operators is of much interest in later chapters and is explored in some detail here.

Royal Society of Chemistry eBooks•Dec 13, 2016•1 citation

The Quantum Mechanics of Angular Momentum

Angular momentum is essential to any advanced discussion of magnetic resonance spectroscopy. A brief history of the modern sub-atomic particle-spin concept is presented. The origin of the spin-1/2 angular momentum quantum number is detailed and angular momentum operators are constructed for spin-1/2 nuclei using the postulates of quantum mechanics which are then used to produce a set of very useful eigenvalue formulas. Angular momentum operators in spherical coordinate form are developed and operator matrices are constructed from Cartesian operators. The time-evolution of these operators is of much interest in later chapters and is explored in some detail here.

Royal Society of Chemistry eBooks•Sep 12, 2025•0 citations

Lecture 9: The Density Operator

Giuseppe Pileio

In this lecture, I lay down the basics for the study of the dynamics of a large collection of identical spin systems by introducing the concept of a density operator and an equation for its evolution. Ensembles of spin systems represent macroscopic samples; in quantum mechanics, these can only be described in statistical terms through a density operator. This latter can be expressed in terms of spin angular momentum operators. The density operator allows all measurable properties of an ensemble of spin systems to be determined.

Royal Society of Chemistry eBooks•Jun 13, 2022•1 citation

Desity operators and their evolution

Arthur Schweiger, Gunnar Jeschke

Abstract In this chapter we introduce the quantum mechanical description of the state of spin ensembles and of their time evolution The relation between the density operator and the magnetization vector of ensembles of isolated spins S = 1/2 is explained. We derive the equation of motion of the density operator from the Schrodinger equation and discuss how the evolution of spin systems during pulse EPR experiments can be mathematically described.

•May 31, 2001•1 citation

Quantum ensembles and the density matrix

Mark E. Tuckerman

Abstract Chapter 10 introduces the concept of quantum ensembles and their descrption via the ensemble density matrix. The chapter begins by setting up the quantum manybody problem and demonstrating the difficulty in solving the time-independent Schrödinger equation for the energy eigenvalues of a manybody Hamiltonian. This naturally leads to the concept of quantum ensembles and their formulation in terms of the density matrix. Eigenvalues of the density matrx are shown to represent probabilities associated with the quantum states that constitute the ensemble. The time-dependence of the density matrix is shown to be determined by the quantum Liouville equation. The quantum Liouville equation is solved under equilibrium conditions, and the solutions are shown to commute with the Hamiltonian. Thus, the eigenvalues of the solution are shown give the probabilities associated with different energy levels. Quantum partition functions in different ensembles are derived from these eigenvalues. Finally, the quantum analog of entropy maximization is used to derive the quantum canonical ensemble.

•Aug 1, 2023•0 citations

Lecture 3: The Quantum Description of An Isolated Spin-1/2

Giuseppe Pileio

In this lecture, I introduce a quantum description of an isolated nuclear spin with spin quantum number 1/2. The discussion introduces the Zeeman Hamiltonian, the Larmor frequency and the nuclear spin angular momentum operators, all of which are fundamental concepts in spin dynamics.

Royal Society of Chemistry eBooks•Jun 13, 2022•0 citations
This chapter outlines the quantum ideas that underpin magnetic resonance and explains their link to classical physics. It discusses some of the essential concepts governing the quantum behaviour of ensembles of nuclear spins, including the nature of quantum states, the eigenvalue equation and observables, the measurement process, dynamics, and the Schroedinger equation. A detailed description of angular momentum is given along with discussion of the role of symmetry, rotation operators, and both product and total angular momentum representations. Statistical ensembles of spins are introduced and the density matrix and Liouville formalism outlined, along with the various tensor bases for the description of spin systems, both independent and coupled. The spin Hamiltonian is described in detail and the evolution of spin systems under various Hamiltonian terms is discussed using the density matrix description, along with suitable recession diagrams.
Angular momentum is essential to any advanced discussion of magnetic resonance spectroscopy. A brief history of the modern sub-atomic particle-spin concept is presented. The origin of the spin-1/2 angular momentum quantum number is detailed and angular momentum operators are constructed for spin-1/2 nuclei using the postulates of quantum mechanics that are then used to produce a set of very useful eigenvalue formulas. Angular momentum operators in spherical coordinate form are developed and operator matrices are constructed from Cartesian operators. The time-evolution of these operators is of much interest in later chapters and is explored in some detail here.
Angular momentum is essential to any advanced discussion of magnetic resonance spectroscopy. A brief history of the modern sub-atomic particle-spin concept is presented. The origin of the spin-1/2 angular momentum quantum number is detailed and angular momentum operators are constructed for spin-1/2 nuclei using the postulates of quantum mechanics which are then used to produce a set of very useful eigenvalue formulas. Angular momentum operators in spherical coordinate form are developed and operator matrices are constructed from Cartesian operators. The time-evolution of these operators is of much interest in later chapters and is explored in some detail here.
In this lecture, I lay down the basics for the study of the dynamics of a large collection of identical spin systems by introducing the concept of a density operator and an equation for its evolution. Ensembles of spin systems represent macroscopic samples; in quantum mechanics, these can only be described in statistical terms through a density operator. This latter can be expressed in terms of spin angular momentum operators. The density operator allows all measurable properties of an ensemble of spin systems to be determined.
Abstract Chapter 10 introduces the concept of quantum ensembles and their descrption via the ensemble density matrix. The chapter begins by setting up the quantum manybody problem and demonstrating the difficulty in solving the time-independent Schrödinger equation for the energy eigenvalues of a manybody Hamiltonian. This naturally leads to the concept of quantum ensembles and their formulation in terms of the density matrix. Eigenvalues of the density matrx are shown to represent probabilities associated with the quantum states that constitute the ensemble. The time-dependence of the density matrix is shown to be determined by the quantum Liouville equation. The quantum Liouville equation is solved under equilibrium conditions, and the solutions are shown to commute with the Hamiltonian. Thus, the eigenvalues of the solution are shown give the probabilities associated with different energy levels. Quantum partition functions in different ensembles are derived from these eigenvalues. Finally, the quantum analog of entropy maximization is used to derive the quantum canonical ensemble.