Commutation relations Fock operator

The basic expression for the quantization of the electromagnetic field is the expansion Eq(54). In the quantized theory the numbers Ck,, C x become operators of the creation C x and the annihilation Ck,x of photons. These operators are acting on the state vector < ) that is defined in the Fock space (occupation number space). The C xt Ck, operators satisfy the commutation relations ... 

Now the operators (a ), (x) may be called the operators of the quantized electron-positron field. These operators are defined in the Fock space and act on the state vector ). The creation and annihilation operators satisfy the anti-commutation relations ... 

The structure of the parametric UA for the 4-RDM satisfies the fourth-order fermion relation (the expectation value of the commutator of four annihilator and four creator operators [26]) for any value of the parameter which is a basic and necessary A-representability condition. Also, the 4-RDM constructed in this way is symmetric for any value of On the other hand, the other A-representability conditions will be affected by this value. Hence it seems reasonable to optimize this parameter in such a way that at least one of these conditions is satisfied. Alcoba s working hypothesis [48] was the determination of the parameter value by imposing the trace condition to the 4-RDM. In order to test this working hypothesis, he constructed the 4-RDM for two states of the BeHa molecule in its linear form Dqo/,. The calculations were carried out with a minimal basis set formed by 14 Hartree-Fock spin orbitals belonging to three different symmetries. Thus orbitals 1, 2, and 3 are cr orbitals 4 and 5 are cr and orbitals 6 and 7 are degenerate % orbitals. The two states considered are the ground state, where... 

In the more general case, i.e., when the fockian contains a nonlocal exchange operator, like in hybrid DFT and in Hartree-Fock calculations, the relation seen Eq. 73 does not hold any more and the commutator of the position operator with the fockian contains an exchange contribution [76, 77], which gives rise to an additional term ... 

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