The construction of spin eigenfunctions for multi-spin systems can become highly nontrivial as the system size increases. Recently, a modular tensor diagram approach was proposed to hierarchically decompose the state space in terms of tensorial modules based on spin pairs, resulting in an effectively organized state space and efficiently constructed symmetry-adapted basis states. Here, it is generalized to treat fermion systems with odd numbers of spins. Elementary modules made of primitive spin-pair modules augmented by an odd-spin tag module are classified into various module classes and further mapped to geometric building blocks of various sizes and shapes to illustrate the hierarchical structure and symmetry of the state space. Spin eigenfunctions are generated from linear combinations of single-spin-tagged or triple-spin-tagged elementary modules using only symmetry and orthogonality conditions, and universal recursive relations for systems with arbitrary odd numbers of spins can be obtained. This work explores the structure and symmetry of the state space of fermion systems that complement previous studies, which may provide new insights into general quantum many-body systems and spin dynamics.
The construction of spin eigenfunctions for multi-spin systems can become highly nontrivial as the system size increases. Recently, a modular tensor diagram approach was proposed to hierarchically decompose the state space in terms of tensorial modules based on spin pairs, resulting in an effectively organized state space and efficiently constructed symmetry-adapted basis states. Here, it is generalized to treat fermion systems with odd numbers of spins. Elementary modules made of primitive spin-pair modules augmented by an odd-spin tag module are classified into various module classes and further mapped to geometric building blocks of various sizes and shapes to illustrate the hierarchical structure and symmetry of the state space. Spin eigenfunctions are generated from linear combinations of single-spin-tagged or triple-spin-tagged elementary modules using only symmetry and orthogonality conditions, and universal recursive relations for systems with arbitrary odd numbers of spins can be obtained. This work explores the structure and symmetry of the state space of fermion systems that complement previous studies, which may provide new insights into general quantum many-body systems and spin dynamics.
Understanding the state space structure of complex quantum systems can help to effectively characterize the system properties and explore underlying mechanisms. The structure of the state space could be quite complicated for quantum many-body systems, and the systematic decomposition of the state space is normally involved. Recently, a modular tensor diagram approach was proposed to reorganize the state space hierarchically based on a modular basis. Here, we review the construction of spin eigenfunctions for multiple exciton systems and further develop modular tensor diagrams to exemplify the hierarchical symmetry of the state space. The newly constructed spin eigenfunctions for quadruple excitons, along with the results for triple excitons, are used to demonstrate the effective decomposition of the state space into hierarchical tensorial structures. A universal recursive relation is derived to determine the coefficients of spin eigenfunctions exhibiting transformation symmetry between different classes of elementary modules for an arbitrary number of exciton units. Interestingly, different coupling schemes mapped to quantum many-body interactions lead to different spin adapted basis states, which may correspond to different realistic systems upon the breakdown of spin degeneracy. This work highlights the hierarchical symmetry of the tensorial structure of quantum many-body systems, which may facilitate a better understanding of the structure property relationship toward the object-oriented materials design.
Abstract We study the representation and visualization of finite-dimensional, coupled quantum systems. To establish a generalized Wigner representation, multi-spin operators are decomposed into a symmetry-adapted tensor basis and are mapped to multiple spherical plots that are each assembled from linear combinations of spherical harmonics. We explicitly determine the corresponding symmetry-adapted tensor basis for up to six coupled spins 1/2 (qubits) using a first step that relies on a Clebsch–Gordan decomposition and a second step which is implemented with two different approaches based on explicit projection operators and coefficients of fractional parentage. The approach based on explicit projection operators is currently only applicable for up to four spins 1/2. The resulting generalized Wigner representation is illustrated with various examples for the cases of four to six coupled spins 1/2. We also treat the case of two coupled spins with arbitrary spin numbers (qudits) not necessarily equal to 1/2 and highlight a quantum system of a spin 1/2 coupled to a spin 1 (qutrit). Our work offers a much more detailed understanding of the symmetries appearing in coupled quantum systems.
The simulation and numerical study of large, strongly correlated quantum systems containing Fermions or using real-time evolution in finite dimensions is still an essentially unsolved problem, primarily due to the exponential growth of the Hilbert state space with system size and the occurrence of the so-called sign problem in Monte Carlo studies. In this area, the use of tensor-network methods, for one-dimensional systems chief among them the density matrix renormalisation group (DMRG) and matrix-product states (MPS), has grown in importance in recent years. This thesis first recapitulates the use of non-abelian symmetries such as SU(2)-Spin in arbitrary tensor networks with an extensive review of the published literature including detailed algorithms and implementation hints. Implementing such symmetries can lead to a considerably more efficient representation of states in the tensor network. This part is intended to be suitable as an implementation-oriented introduction to tensor networks in general and the implementation of non-abelian symmetries in particular. Second, it introduces a series of technical improvements for the MPS methods. These improvements include a faster convergence scheme for MPS-DMRG, a systematic approach to the construction of matrix-product operators and an improved Krylov time evolution method as well as the combination of several well-known techniques into a single tensor network toolkit, SYTEN. The effectiveness of these improvements is demonstrated in numerical examples. Third, the toolkit is applied to the study of two models of current research interest: A one-dimensional spin chain in a staggered external magnetic field is studied and confinement of the elementary spinon excitations, as predicted by analytical arguments, found numerically using real-time evolution and evaluation of the dynamical structure factor. Additionally, the Hubbard model in two dimensions is studied extensively at various system sizes, geometries, interaction strengths U and filling factors n using up to 30'000 SU(2)-Spin-symmetric states equivalent to approx. 100'000 states in other MPS-DMRG implementations. Hints of a possible phase coexistence in the region 0.85 < n < 0.95 are found at intermediate interaction strengths U = 4 and U = 6 as well as a consistently striped ground state in the region n ≈ 0.875.
The eigenvalue problem in a one-dimensional system of many fermions interacting via a delta-function potential is solved exactly in a field theoretical framework. Simultaneous eigenstates of spin and energy are represented in a systematic and compact form, that is, in such a form that the orbital and spin eigenfunctions are unified in harmony without the aid of Young’s tableau. The eigenstate and energy eigenvalue are specified by two sets of quantum numbers, particle momenta and spin momenta, besides two eigenvalues of a total spin angular momentum and its z-component. It is shown that for given particle momenta and spin momenta the energy eigenvalue is given by the solutions of coupled equations.
Conservation of symmetries is crucial for reliable quantum simulations of molecular systems, yet compact circuit implementations of fully symmetry-adapted fermionic unitaries have remained elusive beyond the simplest excitation classes. Here we address this issue for the set of singlet spin-adapted generalized singles and doubles operators (saGSD). Using the Wei--Norman approach, we derive exact product formulas that express spin-adapted fermionic unitaries as products of elementary spin-orbital unitaries. To obtain closed-form parameters in the more challenging 28- and 84-dimensional dynamical Lie algebras, we develop a computational discovery-and-verification protocol combining numerical optimization, parameter-structure identification, closed-form inference, and exact validation against reduced Wei--Norman equations. We also introduce an algorithm for constructing closed-form fermionic unitary transformations on Krylov subspaces and extend the fermionic-excitation-based circuit formalism to generators consisting of an anti-Hermitian fermionic string multiplied by arbitrary linear combinations of number-operator products. Together, these developments yield the most compact circuits to date for exact implementation of saGSD unitaries. Finally, for non fully spin-polarized systems, we identify a compact universal symmetry-adapted subset of saGSD that further reduces the quantum resources required for chemically relevant simulations.
We study in this series the group theoretical structure of Fermion many-body systems arising from the canonical anticommutation relation of the annihilation-creation operators. Owing to the canonical anticommutation relation, a Fermion system with N single particle states has at least six Lie algebras of Fermion operators, a U(N), an SO(2N), an SO(2N+1), an SO(2N+2) and two U(N+1) Lie algebras. There are also two Clifford algebras of 2N and 2N+1 dimensions. The Fermion space is shown to belong to the spinor representations of the SO(2N), SO(2N+1) and SO(2N+2) groups. The canonical transformations generated by the U(N), SO(2N) and SO(2N+1) Lie algebras are characterized as the transformations to induce the linear U(N), SO(2N) and SO(2N+1) transformations for the Clifford algebras. The independent (quasi-) particle type wave functions of three kinds including the Hartree-Fock and Hartree-Bogoliubov wave functions are constructed by means of the canonical transformations and their relationship is studied. We derive three exact generator coordinate representations for state vectors in which the generator coordinates are the U(N), SO(2N) or SO(2N+1) group and the generating functions are the independent (quasi-) particle type wave functions. We characterize the structures of state vectors in the generator coordinate representations and study the relationship of the three representations.