The standard Bogoliubov transformation is generalized to enable fermion number parity breaking. The new transformation can diagonalize fermion Hamiltonians that are quadratic in fermion and number parity operators. This new variational freedom cannot lower the energy of Hamiltonians that conserve number parity. However, it has value as a minimal mechanism for continuously varying between states of different fermion number, regardless of number parity.
The standard Bogoliubov transformation is generalized to enable fermion number parity breaking. The new transformation can diagonalize fermion Hamiltonians that are quadratic in fermion and number parity operators. This new variational freedom cannot lower the energy of Hamiltonians that conserve number parity. However, it has value as a minimal mechanism for continuously varying between states of different fermion number, regardless of number parity.
It is usually asserted that physical Hamiltonians for fermions must contain an even number of fermion operators. This is indeed true in electronic structure theory. However, when the Jordan-Wigner (JW) transformation is used to map physical spin Hamiltonians to Hamiltonians of spinless fermions, terms that contain an odd number of fermion operators may appear. The resulting fermionic Hamiltonian thus does not have number parity symmetry and requires wave functions that do not have this symmetry either. In this work, we discuss the extension of standard Hartree-Fock-Bogoliubov (HFB) theory to the number-parity-nonconserving case. These ideas had appeared in the literature before but, perhaps for lack of practical applications, had, to the best of our knowledge, never been employed. We here present a useful application for this more general HFB theory based on coherent states of the SO(2M + 1) Lie group, where M is the number of orbitals. We also show how using these unusual mean-field states can provide significant improvements when studying the JW transformation of chemically relevant spin Hamiltonians.
A self-contained treatment of the Bogoliubov-Valatin transformation for homogeneous fermionic Hamiltonians is presented. The aim is to provide a quick reference that may also serve as supplementary material for a graduate-level course, and that can be understood with quantum mechanics knowledge up to the level of the second quantization's rules. The objective of the transformation is to cast a quadratic Hamiltonian into a diagonal form that resembles the Hamiltonian of a system of non-interacting particles. To obtain this, the first step consists in putting its coefficient matrix into its canonical form; the transformation can always be performed on fermionic Hamiltonians, only some care must be taken when this form is singular. Having explained how to cast a general matrix into its standard form, a complete description of the transformation is provided; a novel procedure is proposed here for the singular matrix case.
A system of linearly coupled quantum harmonic oscillators can be diagonalized when the system is dynamically stable using a Bogoliubov canonical transformation. However, this is just a particular case of more general canonical transformations that can be performed even when the system is dynamically unstable. Specific canonical transformations can transform a quadratic Hamiltonian into a normal form, which greatly helps to elucidate the underlying physics of the system. Here, we provide a self-contained review of the normal form of a quadratic Hamiltonian as well as step-by-step instructions to construct the corresponding canonical transformation for the most general case. Among other examples, we show how the standard two-mode Hamiltonian with a quadratic position coupling presents, in the stability diagram, all the possible normal forms corresponding to different types of dynamical instabilities.
The thermal Bogoliubov transformation in thermo field dynamics is generalized in two respects. First, a generalization of the alpha--degree of freedom to tilde non--conserving representations is considered. Secondly, the usual 2times2 Bogoliubov matrix is extended to a 4times4 matrix including mixing of modes with non--trivial multiparticle correlations. The analysis is carried out for both bosons and fermions.
This thesis is concerned with the properties of dynamical systems with Hamiltonians which are general quadratic combinations of classical or quantum canonical variables or of Boson or Fermion annihilation and creation operators.Chapter I, consisting of six sections, deals mainly with sets of canonical forms for quadratic Hamiltonians under the action of the group of linear canonical transformations.By viewing the group of C.C.R.Bogoliubov transformations as Sp(2tf, i?) , a full set of canonical Boson Hamiltonians, labelled by the invariants for symplectic conjugacy classes, is obtained.Since the conjugacy class of a real orthogonal matrix is determined by its eigenvalues, there is only one type of canonical form for quadratic Fermion Hamiltonians.Unlike the Fermion case, indefinite Boson Hamiltonians can not in general be reduced to a sum of quasi-particle number operators.However, it is shown how spectral theory in Krein space rigorizes the full reduction of a strictly positive quadratic Boson Hamiltonian for which the single particle space is infinite dimensional.In the case of infinite degrees of freedom, there are various existence criteria for a unitary operator which implements a given Bogoliubov transformation and the equivalence of these is discussed in Section 6.Cahpter II, consisting of seven sections, applies the techniques of Chapter I to algebraic quantization.The Boson commutation relations , among formal mode operators obtained in heuristic quantization, are shown to be incompatible with the canonical commutation relations among conjugate variables unless the motion is stable.Segal quantization of any real
As is well-known, in the conventional formulation of Bogoliubov's theory of an interacting Bose gas, the Hamiltonian is written as a decoupled sum of contributions from different momenta of the form . Then, each of the single-mode Hamiltonians is diagonalized separately, and the resulting ground state wavefunction of the total Hamiltonian is written as a simple product of the ground state wavefunctions of each of the single-mode Hamiltonians . While this way of diagonalizing the total Hamiltonian may seem to be valid from the perspective of the standard, number non-conserving Bogoliubov's method, where the k = 0 state is removed from the Hilbert space and hence the individual Hilbert spaces where the Hamiltonians {} are diagonalized are disjoint from one another, we argue that from a number-conserving perspective this diagonalization method may not be adequate since the true Hilbert spaces where the Hamiltonians {} should be diagonalized all have the k = 0 state in common, and hence the ground state wavefunction of the total Hamiltonian may not be written as a simple product of the ground state wavefunctions of the 's. In this paper, we give a thorough review of Bogoliubov's method, and discuss a variational and number-conserving formulation of this theory in which the k = 0 state is restored to the Hilbert space of the interacting gas, and where, instead of diagonalizing the Hamiltonians separately, we diagonalize the total Hamiltonian . When this is done, we find that the ground state energy is lowered below the Bogoliubov result, and the depletion of bosons is significantly reduced with respect to the one obtained in the number non-conserving treatment. We also find that the spectrum of the usual αk excitations of Bogoliubov's method changes from a gapless one, as predicted by the standard, number non-conserving formulation of this theory, to one which exhibits a finite gap in the k → 0 limit. We discuss the presence of a gap in the spectrum of the αk's in light of Goldstone's theorem, and show that there is no contradiction with the latter.