What is the Slater determinant of a singlet or a triplet?

In summary, the eigenstates of a system of two independent particles can be represented as a Slater determinant of single-particle eigenstates, with the spin wavefunction being a singlet or a triplet. This can also be expressed in terms of momentum-spin eigenstates, with the basis in terms of proper total spin being a 50-50 superposition of singlet and triplet states.
  • #1
atat1tata
29
0
We have a system of 2 particles, let's say with following hamiltonian:

$$\hat{H} = -\frac{\hbar^2\hat{\nabla}_1^2}{2m} -\frac{\hbar^2\hat{\nabla}_2^2}{2m} $$

The eigenstates are often represented as (spatial wavefunction)*(spin wavefunction), where the spin wavefunction is a singlet or a triplet. However the particle are independent. So the total wavefunction (position*spin) must be written as a Slater determinant of single-particle eigenstates. But I can't find such states!

For example, combining [itex]a(x)|\uparrow\rangle[/itex] and [itex]b(x)|\downarrow\rangle[/itex] I get [itex]a(x_1)b(x_2)|\uparrow\downarrow\rangle - b(x_1)a(x_2)|\downarrow\uparrow\rangle[/itex].

So how can I get the true eigenstates, namely (spatial part)*(spin part), where if one part is symmetric the other is antisymmetric?
 
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  • #2
Singlet and triplet are degenerate when the particles are independent, so you could construct also two degenerate Slater deteminants from them.
 
  • #3
You mean that the particles are identical and fermions of spin 1/2. Then the total state must be antisymmetric. Let's take momentum-spin eigenstates (which exist in non-relativistic quantum theory, because the spin operators commute with momentum). Then the two-particle basis can be given in terms of irreducible representations of the rotation group wrt. spin. The Kronecker product of two spin-1/2 representations reduce to spin 0 (singlet) und spin 1 (triplet). The former are the antisymmetrized and symmetrized product states, respectively:
$$|s=0,\sigma=0 \rangle=\frac{1}{\sqrt{2}} |s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle - |s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle,$$
$$|s=1,\sigma=1 \rangle=|s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle, \quad |s=1,\sigma=0 \rangle=\frac{1}{\sqrt{2}} |s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle +|s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle, \quad |s=1,\sigma=-1 \rangle=|s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle.$$
Further you can write the basis as a product of the momentum (orbital) part and the spin part. Since you have fermions, your basis in terms of proper total spin is
$$|\vec{p}_1,\vec{p}_2,s=0,\sigma=0 \rangle=\frac{1}{\sqrt{2}} (|\vec{p}_1 \rangle \otimes \vec{p}_2 \rangle + |\vec{p}_2 \rangle \otimes \vec{p}_1 \rangle) \otimes |s=0,\sigma=0 \rangle,$$
$$|\vec{p}_1,\vec{p}_2,s=1 \rangle=\frac{1}{\sqrt{2}} (|\vec{p}_1 \rangle \otimes \vec{p}_2 \rangle -|\vec{p}_2 \rangle \otimes \vec{p}_1 \rangle) \otimes |s=1,\sigma \rangle, \quad \sigma \in \{-1,0,1 \}.$$
 
  • #4
vanhees71 said:
You mean that the particles are identical and fermions of spin 1/2. Then the total state must be antisymmetric. Let's take momentum-spin eigenstates (which exist in non-relativistic quantum theory, because the spin operators commute with momentum). Then the two-particle basis can be given in terms of irreducible representations of the rotation group wrt. spin. The Kronecker product of two spin-1/2 representations reduce to spin 0 (singlet) und spin 1 (triplet). The former are the antisymmetrized and symmetrized product states, respectively:
$$|s=0,\sigma=0 \rangle=\frac{1}{\sqrt{2}} |s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle - |s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle,$$
$$|s=1,\sigma=1 \rangle=|s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle, \quad |s=1,\sigma=0 \rangle=\frac{1}{\sqrt{2}} |s=1/2,\sigma=1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle +|s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=1/2 \rangle, \quad |s=1,\sigma=-1 \rangle=|s=1/2,\sigma=-1/2 \rangle \otimes |s=1/2,\sigma=-1/2 \rangle.$$
Further you can write the basis as a product of the momentum (orbital) part and the spin part. Since you have fermions, your basis in terms of proper total spin is
$$|\vec{p}_1,\vec{p}_2,s=0,\sigma=0 \rangle=\frac{1}{\sqrt{2}} (|\vec{p}_1 \rangle \otimes \vec{p}_2 \rangle + |\vec{p}_2 \rangle \otimes \vec{p}_1 \rangle) \otimes |s=0,\sigma=0 \rangle,$$
$$|\vec{p}_1,\vec{p}_2,s=1 \rangle=\frac{1}{\sqrt{2}} (|\vec{p}_1 \rangle \otimes \vec{p}_2 \rangle -|\vec{p}_2 \rangle \otimes \vec{p}_1 \rangle) \otimes |s=1,\sigma \rangle, \quad \sigma \in \{-1,0,1 \}.$$
Thanks, but my question is if such a basis can be constructed by Slater determinants of single-particle spin-orbitals
 
  • #5
Using a somewhat terser notation, each of the two possible slater determinants can be written as a 50-50 superposition of the singlet and triplet state (and vice versa):
abud-badu=((ab-ba)(ud+du)+(ab+ba)(ud-du))/2
abdu-baud=((ab-ba)(ud+du)-(ab+ba)(ud-du))/2

As these states are all degenerate, you may use either the Slater determinants or the spin eigenfunctions.
 

1. What is the Slater determinant?

The Slater determinant is a mathematical expression used in quantum mechanics to describe the wave function of a system of identical fermions. It is used to calculate the probability of finding a certain arrangement of particles in a given quantum state.

2. What is a singlet state?

A singlet state is a quantum state in which all of the electrons in a system have opposite spin orientations. This results in a net spin of zero and is often referred to as a "paired" state. Singlet states are commonly found in molecules with two electrons, such as the hydrogen molecule.

3. What is a triplet state?

A triplet state is a quantum state in which the spins of all the electrons in a system are aligned in the same direction. This results in a net spin of 1 and is commonly referred to as an "unpaired" state. Triplet states are commonly found in molecules with an odd number of electrons.

4. How is the Slater determinant calculated for a singlet or triplet state?

The Slater determinant is calculated by taking the product of single-particle wave functions for each electron in the system. For a singlet state, the wave functions for each electron must be orthogonal, while for a triplet state they must be parallel. The resulting determinant is then used to calculate the probability of finding a certain arrangement of particles in the given state.

5. What is the significance of the Slater determinant in quantum mechanics?

The Slater determinant plays a crucial role in quantum mechanics as it allows for the calculation of the wave function for systems of identical fermions. This is essential in understanding the behavior of electrons in atoms and molecules, and is also used in other areas of physics such as solid state physics and nuclear physics.

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