Wick's Theorem Research Articles

Integer quantum Hall effect of the α−T3 model with a broken flat band

Despite the intense amount of attention and huge potential of two-dimensional (2D) magnets for applications in novel magnetic, magneto-optical, magneto-thermal and magneto-electronic devices, there has yet to be a robust strategy developed to systematically understand magnon-magnon (MMI) interactions at finite temperature. In this paper, we present a first-principles theoretical method to introduce the finite temperature magnon-magnon interaction into Heisenberg Hamiltonian through a nonlinear correction energy. The Wick theorem is used to decouple the four-magnon operators to two-magnon order. We demonstrate the capabilities of this method by studying the strength of MMI in Cr2Ge2Te6 (CGT) monolayer. The spin wave spectrum at finite temperature and the time-dependent spin autocorrelation function are explored. It is found that the magnon relaxation time due to magnon-magnon scattering increases with temperature because of the reduction in magnon energy, while decreases with wavevector and external magnetic field. Our results provide a new insight to understand the magnon damping and energy dissipation in two-dimensional ferromagnetic materials.

Thermodynamic free-energy spectrum theory for open quantum systems.

In this work, we develop the free-energy spectrum theory for thermodynamics of open quantum impurity systems that can be either fermionic or bosonic or combined. We identify two types of thermodynamic free-energy spectral functions for open quantum systems and further consider the thermodynamic limit, which supports the Gaussian-Wick description of hybrid environments. We can then relate the thermodynamic spectral functions to the local impurity properties. These could be experimentally measurable quantities, especially for the cases of quantum dots embedded in solid surfaces. Another type of input is the bare-bath coupling spectral densities, which could be accurately determined with various methods. For illustration, we consider the simplest noninteracting systems, with focus on the strikingly different characteristics between the bosonic and fermionic scenarios.

Quantization of Harer-Zagier formulas

We derive the analogues of the Harer-Zagier formulas for single- and double-trace correlators in the q-deformed Hermitian Gaussian matrix model. This fully describes single-trace correlators and opens a road to q-deformations of important matrix models properties, such as genus expansion and Wick theorem.

Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering.

Reduced density matrix cumulants play key roles in the theory of both reduced density matrices and multiconfigurational normal ordering. We present a new, simpler generating function for reduced density matrix cumulants that is formally identical with equating the coupled cluster and configuration interaction ansätze. This is shown to be a general mechanism to convert between a multiplicatively separable quantity and an additively separable quantity, as defined by a set of axioms. It is shown that both the cumulants of probability theory and the reduced density matrices are entirely combinatorial constructions, where the differences can be associated with changes in the notion of "multiplicative separability" for expectation values of random variables compared to reduced density matrices. We compare our generating function to that of previous works and criticize previous claims of probabilistic significance of the reduced density matrix cumulants. Finally, we present a simple proof of the generalized normal ordering formalism to explore the role of reduced density matrix cumulants therein. While the formalism can be used without cumulants, the combinatorial structure of expressing RDMs in terms of cumulants is the same combinatorial structure on cumulants that allows for a simple extended generalized Wick's theorem.

A comprehensive, self‐contained derivation of the one‐body density matrices from single‐reference excited‐state calculation methods using the equation‐of‐motion formalism

AbstractIn this contribution, we review in a rigorous, yet comprehensive fashion the assessment of the one‐body reduced density matrices derived from the most used single‐reference excited‐state calculation methods in the framework of the equation‐of‐motion formalism. Those methods are separated into two types: those which involve the coupling of a deexcitation operator to a single‐excitation transition operator, and those which do not involve such a coupling. The case of many‐body auxiliary wave functions for excited states is also addressed. For each of these approaches we were interested in deriving the elements of the one‐body transition and difference density matrices, and to highlight their particular structure. This has been accomplished by applying a decomposition of integrals involving one‐determinant quantum electronic states on which two or three pairs of second quantization operators can act. Such a decomposition has been done according to a corollary to Wick's theorem, which is brought in a comprehensive and detailed manner. A comment is also given about the consequences of using the equation‐of‐motion formulation in this context, and the two types of excited‐state calculation methods (with and without coupling excitations to deexcitations) are finally compared from the point of view of the structure of their transition and difference density matrices.

Generalized quantum cumulant dynamics.

A means of unifying some semiclassical models of computational chemistry is presented; these include quantized Hamiltonian dynamics, quantal cumulant dynamics, and semiclassical Moyal dynamics (SMD). A general method for creating the infinite hierarchy of operator dynamics in the Heisenberg picture is derived together with a general method for truncation (or closure) of that series, and in addition, we provide a simple link to the phase space methods of SMD. Operator equations of arbitrary order may be created readily, avoiding the tedious algebra identified previously. Truncation is based on a simple recurrence formula which is related to, but avoids the more complex contractions of, Wick's theorem. This generalized method is validated against a number of trial problems considered using the previous methods. We also touch on some of the limitations involved using such methods, noting, in particular, that any truncation will lead to a state which is in some sense unphysical. Finally, we briefly introduce our quantum algebra package QuantAL which provides an automated method for the generation of the required equation set, the initial conditions for all variables from any start, and all the higher order approximations necessary for truncation of the series, at essentially arbitrary order.

Spin functional renormalization group for quantum Heisenberg ferromagnets: Magnetization and magnon damping in two dimensions

We use the spin functional renormalization group recently developed by two of us [J. Krieg and P. Kopietz, Phys. Rev. B $\bf{99}$, 060403(R) (2019)] to calculate the magnetization $M ( H , T )$ and the damping of magnons due to classical longitudinal fluctuations of quantum Heisenberg ferromagnets. In order to guarantee that for vanishing magnetic field $H \rightarrow 0$ the magnon spectrum is gapless when the spin rotational invariance is spontaneously broken, we use a Ward identity to express the magnon self-energy in terms of the magnetization. In two dimensions our approach correctly predicts the absence of long-range magnetic order for $H=0$ at finite temperature $T$. The magnon spectrum then exhibits a gap from which we obtain the transverse correlation length. We also calculate the wave-function renormalization factor of the magnons. As a mathematical by-product, we derive a recursive form of the generalized Wick theorem for spin operators in frequency space which facilitates the calculation of arbitrary time-ordered connected correlation functions of an isolated spin in a magnetic field.

Kinetic Theory of Boson Gas

We construct a quantum kinetic theory of a weakly interacting critical boson gas using the expectation values of products of Heisenberg field operators in the grand canonical ensemble. Using a functional representation for the Wick theorem for time-ordered products, we construct a perturbation theory for the generating functional of these time-dependent Green’s functions at a finite temperature. We note some problems of the functional-integral representation and discuss unusual apparent divergences of the perturbation expansion. We propose a regularization of these divergences using attenuating propagators. Using a linear transformation to variables with well-defined scaling dimensions, we construct an infrared effective field theory. We show that the structure of the regularized model is restored by renormalization. We propose a multiplicatively renormalizable infrared effective model of the quantum dynamics of a boson gas.

A recursive enumeration of connected Feynman diagrams with an arbitrary number of external legs in the fermionic non-relativistic interacting gas

In this work, we generalize a recursive enumerative formula for connected Feynman diagrams with two external legs. The Feynman diagrams are defined from a fermionic gas with a two-body interaction. The generalized recurrence is valid for connected Feynman diagrams with an arbitrary number of external legs and an arbitrary order. The recurrence formula terms are expressed in function of weak compositions of non-negative integers and partitions of positive integers in such a way that to each term of the recurrence correspond a partition and a weak composition. The foundation of this enumeration is the Wick theorem, permitting an easy generalization to any quantum field theory. The iterative enumeration is constructive and enables a fast computation of the number of connected Feynman diagrams for a large amount of cases. In particular, the recurrence is solved exactly for two and four external legs, leading to the asymptotic expansion of the number of different connected Feynman diagrams.

A microscopic derivation of time-dependent correlation functions of the 1D cubic nonlinear Schrödinger equation

We give a microscopic derivation of time-dependent correlation functions of the 1D cubic nonlinear Schrödinger equation (NLS) from many-body quantum theory. The starting point of our proof is [11] on the time-independent problem and [16] on the corresponding problem on a finite lattice. An important new obstacle in our analysis is the need to work with a cutoff in the number of particles, which breaks the Gaussian structure of the free quantum field and prevents the use of the Wick theorem. We overcome it by means of complex analytic methods. Our methods apply to the nonlocal NLS with bounded convolution potential. In the periodic setting, we also consider the local NLS, arising from short-range interactions in the many-body setting. To that end, we need the dispersion of the NLS in the form of periodic Strichartz estimates in Xs,b spaces.

Nonequilibrium field theory for dynamics starting from arbitrary athermal initial conditions

Schwinger Keldysh field theory is a widely used paradigm to study non-equilibrium dynamics of quantum many-body systems starting from a thermal state. We extend this formalism to describe non-equilibrium dynamics of quantum systems starting from arbitrary initial many-body density matrices. We show how this can be done for both Bosons and Fermions, and for both closed and open quantum systems, using additional sources coupled to bilinears of the fields at the initial time, calculating Green's functions in a theory with these sources, and then taking appropriate set of derivatives of these Green's functions w.r.t. initial sources to obtain physical observables. The set of derivatives depend on the initial density matrix. The physical correlators in a dynamics with arbitrary initial conditions do not satisfy Wick's theorem, even for non-interacting systems. However our formalism constructs intermediate ``n-particle Green's functions'' which obey Wick's theorem and provide a prescription to obtain physical correlation functions from them. This allows us to obtain analytic answers for all physical many body correlation functions of a non-interacting system even when it is initialized to an arbitrary density matrix. We use these exact expressions to obtain an estimate of the violation of Wick's theorem, and relate it to presence of connected multi-particle initial correlations in the system. We illustrate this new formalism by calculating density and current profiles in many body Fermionic and Bosonic open quantum systems initialized to non-trivial density matrices. We have also shown how this formalism can be extended to interacting many body systems.

Nonlinear trident pair production in an arbitrary plane wave: A focus on the properties of the transition amplitude

The process of nonlinear electron-positron pair production by an electron colliding with an arbitrary plane wave electromagnetic field (nonlinear trident pair production) is studied analytically and numerically. Special emphasis is put on the properties of the transition amplitude. In fact, its original expression as resulting from applying the Wick's theorem turns out to be divergent and not to manifestly fulfill gauge invariance. By restoring the latter, the amplitude is regularized and investigated in different regimes. In particular, the amplitude is divided into a two-step and a one-step contributions, depending on the scaling dependence on the laser pulse duration. The corresponding contributions to the positron angular distribution spectra and the resulting interference terms are studied numerically emphasizing the possibility of measuring experimentally the contribution of the one-step contribution.

Generalized Wick Theorems in Conformal Field Theory and the Borcherds Identity

As a counterpart of the well-known generalized Wick theorem by Bais et. al. in 1988 for interacting fields in two dimensional conformal field theory, we present a new contour integral formula for the operator product expansion of a normally ordered operator and a single operator on its right hand. Quite similar to the original Wick theorem for the opposite order operator product, it expresses the contraction i.e.the singular part of the operator product expansion as a contour integral of only two terms, each of which is a product of a contraction and a single operator. We discuss the relation between these formulas and the Borcherds identity satisfied by the quantum fields associated with the theory of vertex algebras.

Fractional-occupation-number based divide-and-conquer coupled-cluster theory

We have extended the divide-and-conquer (DC) coupled-cluster with singles and doubles (CCSD) to a fractional occupation number (FON) formalism, denoted as FON-DC-CCSD, using the thermal Wick theorem. The motivation is to address the inconsistency in the treatment of orbital occupations between the DC-based Hartree–Fock and the DC-CCSD methods, which adopt the Fermi distribution function and the step function for orbital occupation, respectively. Numerical applications involving polyene chains and single-walled carbon nanotubes confirm that the proposed FON-DC-CCSD method reduces both energy errors and computational costs compared with the conventional DC-CCSD method.

Wick theorem for all orderings of canonical operators

Wick’s theorem, known for yielding normal ordered from time-ordered bosonic fields, may be generalized for a simple relationship between any two orderings that we define over canonical variables, in a broader sense than before. In this broad class of orderings, the general Wick theorem follows from the Baker–Campbell–Hausdorff identity. We point out that, generally, the characteristic function does not induce an unambigous scheme to order the multiple products of the canonical operators although the value of the ordered product is unique. We construct a manifold of different schemes for each value of s of s-orderings of Cahill and Glauber.

Normal Ordering the Squeeze Operator by Generalized Wick Theorem

In 1988, I translated a popular article 'Squeezed light' for the Hungarian mutation of Scientific American. How shall we say 'squeezed' in our language from now on? At the time, Janszky was already Hungary's top quantum optics theorist, he excelled in squeezed light research as well, so I did not want to decide without asking him. He voted for the word 'pr\'eselt' [prayshalt], and it worked,became standard in our talking and writing about squeezed light. To his memory, let me dedicate an easy route (two pages) to normal ordering the squeeze operator, based on my recent extension of the Wick theorem for general orderings of q and p.

Theory of Quantum Dissipation in a Class of Non-Gaussian Environments

In this work we construct a novel dissipaton-equation-of-motion (DEOM) theory in quadratic bath coupling environment, based on an extended algebraic statistical quasi-particle approach. To validate the new ingredient of the underlying dissipaton algebra, we derive an extended Zusman equation via a totally different approach. We prove that the new theory, if it starts with the identical setup, constitutes the dynamical resolutions to the extended Zusman equation. Thus, we verify the generalized (non-Gaussian) Wick's theorem with dissipatons-pair added. This new algebraic ingredient enables the dissipaton approach being naturally extended to nonlinear coupling environments. Moreover, it is noticed that, unlike the linear bath coupling case, the influence of a non-Gaussian environment cannot be completely characterized with the linear response theory. The new theory has to take this fact into account. The developed DEOM theory manifests the dynamical interplay between dissipatons and nonlinear bath coupling descriptors that will be specified. Numerical demonstrations will be given with the optical line shapes in quadratic coupling environment.

A new generalized Wick theorem in conformal field theory

A new generalized Wick theorem for interacting fields in 2D conformal field theory is described. We briefly discuss its relation to the Borcherds identity and its derivation by an analytic method. Examples of the calculations of the operator product expansions by using the generalized Wick theorems including fermionic fields are also presented.

Deviations from Wick's theorem in the canonical ensemble

Wick's theorem for the expectation values of products of field operators for a system of noninteracting fermions or bosons plays an important role in the perturbative approach to the quantum many body problem. A finite temperature version holds in the framework of the grand canonical ensemble but not for the canonical ensemble appropriate for systems with fixed particle number like ultracold quantum gases in optical lattices. Here we present new formulas for expectation values of products of field operators in the canonical ensemble using a method in the spirit of Gaudin's proof of Wick's theorem for the grand canonical case. The deviations from Wick's theorem are examined quantitatively for two simple models of noninteracting fermions.

Ring coupled-cluster doubles correction to geminal wavefunctions

ABSTRACTA ring approximation in coupled-cluster (CC) theory is worked out at the multireference (MR) level. The underlying CC framework is based on generalised normal ordering and applies the corresponding generalised Wick's theorem. Contractions among cluster operators are avoided by adopting a normal ordered exponential Ansatz. The MR ring CC doubles (MR rCCD) theory is found to represent a companion to the previously introduced extended random phase approximation (ERPA). Equations for wavefunction parameters are derived in parallel and compared. Condition for the ground state consistent with ERPA is obtained. This paves the way towards comparison with the ERPA-based correction to the antisymmetrised product of strongly orthogonal geminal (APSG) reference, ERPA-APSG.