Quantum statistical mechanics

Short description: Statistical mechanics of quantum-mechanical systems

Thermodynamics

The classical Carnot heat engine

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Note: Conjugate variables in italics

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| Specific heat capacity | c= | | T| ∂S

|

N| ∂T
Compressibility | β=− | | 1| ∂V

|

V| ∂p
Thermal expansion | α= | | 1| ∂V

|

V| ∂T

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U(S,V)
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H(S,p)=U+pV
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A(T,V)=U−TS
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G(T,p)=H−TS

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Part of a series on

Quantum mechanics
iℏ∂∂t|ψ(t)⟩=H^|ψ(t)⟩

Schrödinger equation

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Quantum statistical mechanics is statistical mechanics applied to quantum mechanical systems. It relies on constructing density matrices that describe quantum systems in thermal equilibrium. Its applications include the study of collections of identical particles, which provides a theory that explains phenomena including superconductivity and superfluidity.

## Contents

* 1 Density matrices, expectation values, and entropy
* 2 Thermodynamic ensembles
* 2.1 Canonical
* 2.2 Grand canonical
* 3 Identical particles and quantum statistics
* 4 See also
* 5 References
* 6 Further reading

## Density matrices, expectation values, and entropy

Main article: Density matrix

In quantum mechanics, probabilities for the outcomes of experiments made upon a system are calculated from the quantum state describing that system. Each physical system is associated with a vector space, or more specifically a Hilbert space. The dimension of the Hilbert space may be infinite, as it is for the space of square-integrable functions on a line, which is used to define the quantum physics of a continuous degree of freedom. Alternatively, the Hilbert space may be finite-dimensional, as occurs for spin degrees of freedom. A density operator, the mathematical representation of a quantum state, is a positive semi-definite, self-adjoint operator of trace one acting on the Hilbert space of the system.[1][2][3] A density operator that is a rank-1 projection is known as a pure quantum state, and all quantum states that are not pure are designated mixed.[4] Pure states are also known as wavefunctions. Assigning a pure state to a quantum system implies certainty about the outcome of some measurement on that system. The state space of a quantum system is the set of all states, pure and mixed, that can be assigned to it. For any system, the state space is a convex set: Any mixed state can be written as a convex combination of pure states, though not in a unique way.[5]

The prototypical example of a finite-dimensional Hilbert space is a qubit, a quantum system whose Hilbert space is 2-dimensional. An arbitrary state for a qubit can be written as a linear combination of the Pauli matrices, which provide a basis for 2×2 self-adjoint matrices:({{{1}}}, {{{2}}}) ρ=12(I+rxσx+ryσy+rzσz), where the real numbers (rx,ry,rz) are the coordinates of a point within the unit ball and σx=(0110),σy=(0−ii0),σz=(100−1).

In classical probability and statistics, the expected (or expectation) value of a random variable is the mean of the possible values that random variable can take, weighted by the respective probabilities of those outcomes. The corresponding concept in quantum physics is the expectation value of an observable. Physically measurable quantities are represented mathematically by self-adjoint operators that act on the Hilbert space associated with a quantum system. The expectation value of an observable is the Hilbert–Schmidt inner product of the operator representing that observable and the density operator:({{{1}}}, {{{2}}}) ⟨A⟩=tr⁡(Aρ).

The von Neumann entropy, named after John von Neumann, quantifies the extent to which a state is mixed.[6] It extends the concept of Gibbs entropy from classical statistical mechanics to quantum statistical mechanics, and it is the quantum counterpart of the Shannon entropy from classical information theory. For a quantum-mechanical system described by a density matrix ρ, the von Neumann entropy is({{{1}}}, {{{2}}}) S=−tr⁡(ρln⁡ρ), where tr denotes the trace and ln denotes the matrix version of the natural logarithm. If the density matrix ρ is written in a basis of its eigenvectors |1⟩,|2⟩,|3⟩,… as ρ=∑jηj|j⟩⟨j|, then the von Neumann entropy is merely S=−∑jηjln⁡ηj. In this form, S can be seen as the Shannon entropy of the eigenvalues, reinterpreted as probabilities.({{{1}}}, {{{2}}})

The von Neumann entropy vanishes when ρ is a pure state. In the Bloch sphere picture, this occurs when the point (rx,ry,rz) lies on the surface of the unit ball. The von Neumann entropy attains its maximum value when ρ is the maximally mixed state, which for the case of a qubit is given by rx=ry=rz=0.({{{1}}}, {{{2}}})

The von Neumann entropy and quantities based upon it are widely used in the study of quantum entanglement.[7]

## Thermodynamic ensembles

### Canonical

Consider an ensemble of systems described by a Hamiltonian H with average energy E. If H has pure-point spectrum and the eigenvalues En of H go to +∞ sufficiently fast, e−r H will be a non-negative trace-class operator for every positive r.

The canonical ensemble (or sometimes Gibbs canonical ensemble) is described by the state({{{1}}}, {{{2}}}) ρ=e−βHTr⁡(e−βH), where β is such that the ensemble average of energy satisfies Tr⁡(ρH)=E and Tr⁡(e−βH)=∑ne−βEn=Z(β).

This is called the partition function; it is the quantum mechanical version of the canonical partition function of classical statistical mechanics. The probability that a system chosen at random from the ensemble will be in a state corresponding to energy eigenvalue Em is

𝒫(Em)=e−βEm∑ne−βEn.

The Gibbs canonical ensemble maximizes the von Neumann entropy of the state subject to the condition that the average energy is fixed.[8]

### Grand canonical

For open systems where the energy and numbers of particles may fluctuate, the system is described by the grand canonical ensemble, described by the density matrix[9] ρ=eβ(∑iμiNi−H)Tr⁡(eβ(∑iμiNi−H)). Here, the N1, N2, ... are the particle number operators for the different species of particles that are exchanged with the reservoir. Unlike the canonical ensemble, this density matrix involves a sum over states with different N.

The grand partition function is({{{1}}}, {{{2}}}) 𝒵(β,μ1,μ2,⋯)=Tr⁡(eβ(∑iμiNi−H))

Density matrices of this form maximize the entropy subject to the constraints that both the average energy and the average particle number are fixed.[10]

## Identical particles and quantum statistics

See also: Physics:Bose–Einstein statistics and Fermi–Dirac statistics

In quantum mechanics, indistinguishable particles (also called identical or indiscernible particles) are particles that cannot be distinguished from one another, even in principle. Species of identical particles include, but are not limited to, elementary particles (such as electrons), composite subatomic particles (such as atomic nuclei), as well as atoms and molecules. Although all known indistinguishable particles only exist at the quantum scale, there is no exhaustive list of all possible sorts of particles nor a clear-cut limit of applicability, as explored in quantum statistics. They were first discussed by Werner Heisenberg and Paul Dirac in 1926.[11]

There are two main categories of identical particles: bosons, which are described by quantum states that are symmetric under exchanges, and fermions, which are described by antisymmetric states.({{{1}}}, {{{2}}}) Examples of bosons are photons, gluons, phonons, helium-4 nuclei and all mesons. Examples of fermions are electrons, neutrinos, quarks, protons, neutrons, and helium-3 nuclei.

The fact that particles can be identical has important consequences in statistical mechanics, and identical particles exhibit markedly different statistical behavior from distinguishable particles.({{{1}}}, {{{2}}}) The theory of boson quantum statistics is the starting point for understanding superfluids,[12] and quantum statistics are also necessary to explain the related phenomenon of superconductivity.[13]

## See also

* Quantum thermodynamics
* Thermal quantum field theory
* Stochastic thermodynamics
* Abstract Wiener space

## References

1. ↑ Fano, U. (1957). "Description of States in Quantum Mechanics by Density Matrix and Operator Techniques". Reviews of Modern Physics 29 (1): 74–93. doi:10.1103/RevModPhys.29.74. Bibcode: 1957RvMP...29...74F.
2. ↑ Holevo 2001, pp. 1, 15.
3. ↑ Hall, Brian C. (2013). "Systems and Subsystems, Multiple Particles". Quantum Theory for Mathematicians. Graduate Texts in Mathematics. 267. Springer. pp. 419–440. doi:10.1007/978-1-4614-7116-5_19. ISBN 978-1-4614-7115-8.
4. ↑ Kardar 2007, p. 172.
5. ↑ Kirkpatrick, K. A. (February 2006). "The Schrödinger-HJW Theorem". Foundations of Physics Letters 19 (1): 95–102. doi:10.1007/s10702-006-1852-1. ISSN 0894-9875. Bibcode: 2006FoPhL..19...95K.
6. ↑ Holevo 2001, p. 15.
7. ↑ Nielsen & Chuang 2010, p. 700.
8. ↑ Peres 1993, p. 267.
9. ↑ Kardar 2007, p. 174.
10. ↑ Reichl 2016, pp. 184–185.
11. ↑ Gottfried, Kurt (2011). "P. A. M. Dirac and the discovery of quantum mechanics". American Journal of Physics 79 (3): 2, 10. doi:10.1119/1.3536639. Bibcode: 2011AmJPh..79..261G. https://pubs.aip.org/aapt/ajp/article-abstract/79/3/261/398648/P-A-M-Dirac-and-the-discovery-of-quantum-mechanics?redirectedFrom=fulltext.
12. ↑ Kardar 2007, pp. 200–202.
13. ↑ Reichl 2016, pp. 114–115, 184.

* Bengtsson, Ingemar; Życzkowski, Karol (2017). Geometry of Quantum States: An Introduction to Quantum Entanglement (2nd ed.). Cambridge University Press. ISBN 978-1-107-02625-4.
* Holevo, Alexander S. (2001). Statistical Structure of Quantum Theory. Lecture Notes in Physics. Monographs. Springer. ISBN 3-540-42082-7.
* Kadanoff, Leo P. (2000). Statistical Physics: Statics, Dynamics and Renormalization. World Scientific. ISBN 9810237588.
* Kadanoff, Leo P.; Baym, Gordon (2018). Quantum Statistical Mechanics. CRC Press. ISBN 978-0-201-41046-4.
* Kardar, Mehran (2007). Statistical Physics of Particles. Cambridge University Press. ISBN 978-0-521-87342-0.
* Huang, Kerson (1987). Statistical Mechanics (2nd ed.). John Wiley & Sons. ISBN 0-471-81518-7.
* Nielsen, Michael A.; Chuang, Isaac L. (2010). Quantum Computation and Quantum Information (10th anniversary ed.). Cambridge: Cambridge Univ. Press. ISBN 978-0-521-63503-5.
* Peres, Asher (1993). Quantum Theory: Concepts and Methods. Kluwer. ISBN 0-7923-2549-4.
* Reichl, Linda E. (2016). A Modern Course in Statistical Physics (4th ed.). Wiley. ISBN 978-3-527-41349-2.
* Rieffel, Eleanor; Polak, Wolfgang (2011). Quantum Computing: A Gentle Introduction. Scientific and engineering computation. Cambridge, Mass: MIT Press. ISBN 978-0-262-01506-6.
* Wilde, Mark M. (2017). Quantum Information Theory (2nd ed.). Cambridge University Press. doi:10.1017/9781316809976. ISBN 9781316809976.
* Zwiebach, Barton (2022). Mastering Quantum Mechanics: Essentials, Theory, and Applications. MIT Press. ISBN 978-0-262-04613-8.

## Further reading

* Modern review for closed systems: Nandkishore, Rahul; Huse, David A. (2015-03-10). "Many-Body Localization and Thermalization in Quantum Statistical Mechanics" (in en). Annual Review of Condensed Matter Physics 6: 15–38. doi:10.1146/annurev-conmatphys-031214-014726. ISSN 1947-5454. https://www.annualreviews.org/content/journals/10.1146/annurev-conmatphys-031214-014726.
* Schieve, William C. (2009). Quantum statistical mechanics. Cambridge, UK: Cambridge University Press. ISBN 978-0-521-84146-7.
* Advanced graduate textbook Bogoli︠u︡bov, N. N.; Bogoli︠u︡bov, N. N. (2010). Introduction to quantum statistical mechanics (2 ed.). Hackensack, NJ: World Scientific. ISBN 978-981-4295-19-2. OCLC 526687587. https://www.worldcat.org/title/526687587.

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Quantum mechanics

Background|

* Introduction
* History
* timeline
* Glossary
* Classical mechanics
* Old quantum theory

Fundamentals|

* Bra–ket notation
* Casimir effect
* Complementarity
* Density matrix
* Energy level
* ground state
* excited state
* degenerate levels
* Vacuum state
* Zero-point energy
* QED vacuum
* QCD vacuum
* Hamiltonian
* Operator
* Quantum coherence
* Quantum decoherence
* Measurement
* Quantum
* Quantum realm
* Quantum system
* Quantum state
* Quantum number
* Quantum entanglement
* Quantum superposition
* Quantum nonlocality
* Quantum tunnelling
* Quantum levitation
* Quantum fluctuation
* Quantum annealing
* Quantum foam
* Quantum noise
* Heisenberg uncertainty principle
* Spontaneous parametric down-conversion
* Von Neumann entropy
* Spin
* Scattering theory
* Symmetry in quantum mechanics
* Symmetry breaking
* Spontaneous symmetry breaking
* Wave propagation
* Quantum interference
* Wave function
* Wave function collapse
* Wave–particle duality
* Matter wave
* Qubit
* Qutrit
* Observable
* Probability distribution

Formulations|

* Formulations
* Heisenberg
* Interaction
* Matrix mechanics
* Schrödinger
* Path integral formulation
* Phase space

Equations|

* Dirac
* Klein–Gordon
* Pauli
* Rydberg
* Schrödinger

Interpretations|

* Interpretations
* Bayesian
* Consistent histories
* Copenhagen
* de Broglie–Bohm
* Ensemble
* Hidden variables
* Many worlds
* Objective collapse
* Quantum logic
* Relational
* Stochastic
* Transactional
* Cosmological

Experiments|

* Afshar
* Bell's inequality
* Cold Atom Laboratory
* Davisson–Germer
* Delayed-choice quantum eraser
* Double-slit
* Franck–Hertz experiment
* Leggett–Garg inequality
* Mach-Zehnder inter.
* Elitzur–Vaidman
* Popper
* Quantum eraser
* Schrödinger's cat
* Quantum suicide and immortality
* Stern–Gerlach
* Wheeler's delayed choice

Science|

* Q-analog
* List
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* Quantum calculus
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* Quantum geometry
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* Quantum statistical mechanics
* Relativistic quantum mechanics
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