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Occupation-Number Basis

The occupation-number basis labels a many-particle state by how many particles occupy each one-particle mode. Instead of asking which formal particle slot contains which state, it asks:

how many particles are in mode 1,how many in mode 2,…\text{how many particles are in mode }1, \quad \text{how many in mode }2, \quad \ldots

A basis vector is written schematically as

∣n1,n2,n3,…⟩,\lvert n_1,n_2,n_3,\ldots\rangle,

where nin_i is the occupation number of mode ii. This is the natural notation for identical particles because identical particles do not carry observable individual labels.

Start with a one-particle Hilbert space h\mathcal h and choose an orthonormal basis of one-particle modes:

{∣φ1⟩,∣φ2⟩,…}.\{\lvert\varphi_1\rangle,\lvert\varphi_2\rangle,\ldots\}.

A mode may be:

  • a spatial orbital in an atom;
  • a spin-orbital in quantum chemistry;
  • a momentum and spin state in a gas;
  • a harmonic-oscillator mode;
  • an optical mode with a specified frequency, polarization, and spatial profile;
  • a lattice-site orbital in a tight-binding model.

The occupation-number basis depends on this chosen mode basis. Changing modes changes the meaning of the occupation labels, just as changing a one-particle basis changes the components of a vector.

The occupation number nin_i records how many particles occupy mode ii. The total particle number is

N=∑ini.N = \sum_i n_i.

For a fixed-NN problem, only occupation strings with the same total NN are included. For example,

∣2,0,1⟩\lvert 2,0,1\rangle

has three particles in total: two in mode 11, none in mode 22, and one in mode 33.

Occupation notation does not say “particle 1 is in mode 1.” It says “mode 1 has occupation 2.” That is exactly the shift needed for identical particles.

For bosons, each mode may have any nonnegative integer occupation:

ni=0,1,2,….n_i=0,1,2,\ldots .

Thus a bosonic basis vector may look like

∣2,0,1,0,…⟩B.\lvert 2,0,1,0,\ldots\rangle_B.

This means that two bosons occupy mode 11, one boson occupies mode 33, and the displayed other modes are empty.

For two bosons in two distinct orthonormal modes ∣a⟩\lvert a\rangle and ∣b⟩\lvert b\rangle, the occupation vector

∣1a,1b⟩B\lvert 1_a,1_b\rangle_B

corresponds in slot language to the symmetric state

12(∣a⟩1∣b⟩2+∣b⟩1∣a⟩2).\frac{1}{\sqrt2} \bigl( \lvert a\rangle_1\lvert b\rangle_2 + \lvert b\rangle_1\lvert a\rangle_2 \bigr).

For two bosons in the same mode,

∣2a⟩B\lvert 2_a\rangle_B

corresponds to the symmetric two-particle state

∣a⟩1∣a⟩2.\lvert a\rangle_1\lvert a\rangle_2.

The mode occupation already knows the particles are identical; it does not need to list two separate particle names.

For fermions, Pauli exclusion restricts each mode to occupation zero or one:

ni∈{0,1}.n_i\in\{0,1\}.

A fermionic basis vector such as

∣1,0,1,1⟩F\lvert 1,0,1,1\rangle_F

means that modes 11, 33, and 44 are occupied, while mode 22 is empty.

For two fermions in two distinct orthonormal modes ∣a⟩\lvert a\rangle and ∣b⟩\lvert b\rangle, the occupation vector

∣1a,1b⟩F\lvert 1_a,1_b\rangle_F

corresponds to the antisymmetric state

12(∣a⟩1∣b⟩2−∣b⟩1∣a⟩2).\frac{1}{\sqrt2} \bigl( \lvert a\rangle_1\lvert b\rangle_2 - \lvert b\rangle_1\lvert a\rangle_2 \bigr).

The forbidden two-fermion occupation

∣2a⟩F\lvert 2_a\rangle_F

does not exist. In fermionic notation, mode aa can have occupation 00 or 11, not 22.

For fermions, a fixed ordering of modes is part of the convention. Signs in later creation-operator formulas depend on that ordering. The occupation string itself records which modes are filled; the operator algebra records the signs produced by reordering fermionic operations.

Consider three one-particle modes a,b,ca,b,c.

A bosonic state with two particles in aa and one in cc is

∣2a,0b,1c⟩B.\lvert 2_a,0_b,1_c\rangle_B.

It has total particle number

N=2+0+1=3.N=2+0+1=3.

A fermionic state with modes aa and cc occupied is

∣1a,0b,1c⟩F.\lvert 1_a,0_b,1_c\rangle_F.

It has total particle number N=2N=2. The corresponding slot wavefunction is the antisymmetrized combination of one particle in mode aa and one in mode cc.

The notation also handles superpositions. For one particle in two modes,

12(∣1a,0b⟩+∣0a,1b⟩)\frac{1}{\sqrt2} \bigl( \lvert 1_a,0_b\rangle + \lvert 0_a,1_b\rangle \bigr)

is a one-particle state delocalized across two modes. It is not a two-particle state; each basis vector in the superposition has total occupation 11.

The normalized basis vectors with definite occupations are developed in Number States.

Slot wavefunctions become unwieldy as particle number grows. A three-boson state with one particle in each of three modes is a sum over 3!3! slot permutations. An NN-fermion Slater determinant contains a signed sum over N!N! permutations.

Occupation notation compresses this information:

∣1a,1b,1c⟩\lvert 1_a,1_b,1_c\rangle

records the same mode content without writing every permutation. The symmetry or antisymmetry is carried by the bosonic or fermionic state space and, later, by the creation and annihilation operator algebra.

This is why many-particle quantum mechanics quickly moves from slot-labeled wavefunctions to Fock-space notation. The physics is the same, but the bookkeeping becomes manageable.

Occupation is always occupation of a chosen set of modes. If a one-particle mode basis is changed, a state with definite occupation in the old basis may become a superposition of occupation states in the new basis.

For example, a one-particle state occupying mode aa can be rewritten in a new basis

∣+⟩=12(∣a⟩+∣b⟩),∣−⟩=12(∣a⟩−∣b⟩).\lvert+\rangle = \frac{1}{\sqrt2} \bigl( \lvert a\rangle+\lvert b\rangle \bigr), \qquad \lvert-\rangle = \frac{1}{\sqrt2} \bigl( \lvert a\rangle-\lvert b\rangle \bigr).

Then

∣a⟩=12(∣+⟩+∣−⟩).\lvert a\rangle = \frac{1}{\sqrt2} \bigl( \lvert+\rangle+\lvert-\rangle \bigr).

The phrase “the occupation of mode aa” is meaningful only after mode aa has been specified.

  • Treating occupation numbers as hidden particle labels.
  • Forgetting that occupation depends on a chosen mode basis.
  • Allowing fermionic occupations larger than one.
  • Thinking a superposition of one-particle occupation states is automatically a many-particle state.
  • Confusing a spatial orbital with a spin-orbital when applying Pauli exclusion.
  • Ignoring the mode-ordering convention needed for fermionic signs.
  • P. A. M. Dirac, The Principles of Quantum Mechanics, 4th ed., Oxford University Press, 1958.
  • A. L. Fetter and J. D. Walecka, Quantum Theory of Many-Particle Systems, McGraw-Hill, 1971.
  • R. Shankar, Principles of Quantum Mechanics, 2nd ed., Springer, 1994.
  • L. E. Ballentine, Quantum Mechanics: A Modern Development, 2nd ed., World Scientific, 2014.
  • A. Altland and B. Simons, Condensed Matter Field Theory, 2nd ed., Cambridge University Press, 2010.
  1. How many particles are represented by the bosonic occupation vector ∣2,0,1,4⟩B\lvert 2,0,1,4\rangle_B?
Solution

The total particle number is the sum of the occupations:

N=2+0+1+4=7.N=2+0+1+4=7.
  1. List all allowed two-particle fermionic occupation vectors for three modes.
Solution

Each mode has occupation 00 or 11, and the total occupation must be 22. The allowed vectors are

∣1,1,0⟩F,∣1,0,1⟩F,∣0,1,1⟩F.\lvert 1,1,0\rangle_F, \qquad \lvert 1,0,1\rangle_F, \qquad \lvert 0,1,1\rangle_F.

The vector ∣2,0,0⟩F\lvert 2,0,0\rangle_F is not allowed for fermions.

  1. Write the slot-language state corresponding to two bosons occupying distinct orthonormal modes aa and bb.
Solution

The state is symmetric under exchange:

12(∣a⟩1∣b⟩2+∣b⟩1∣a⟩2).\frac{1}{\sqrt2} \bigl( \lvert a\rangle_1\lvert b\rangle_2 + \lvert b\rangle_1\lvert a\rangle_2 \bigr).
  1. Why is ∣1a,0b⟩\lvert 1_a,0_b\rangle basis-dependent notation?
Solution

It says that the chosen mode aa is occupied and the chosen mode bb is empty. If one changes to a different one-particle mode basis, the same physical one-particle state may become a superposition of occupation states in the new basis. Occupation numbers are therefore meaningful only relative to a specified mode basis.