相关论文: Spin-adapted selected configuration interaction in…

Solid state spin qubits are promising candidates for quantum information processing, but controlled interactions and entanglement in large, multi-qubit systems are currently difficult to achieve. We describe a method for programmable…

In this work, we propose a method to investigate controllable qubit-resonator interactions in a Dicke model with driven biased term. The nonlinearity of spectrum, which can be induced by qubit-resonator interactions, plays an important role…

We discuss the problem of spin-orbit interaction in a 2D chaotic or diffusive quantum dot in the presence of exchange correlations. Spin-orbit scattering breaks spin rotation invariance, and in the crossover regime between different…

Strongly interacting one-dimensional fermions form an effective spin chain in the absence of an external lattice potential. We show that the exchange coefficients of such a chain may be locally tuned by properly tailoring the transversal…

The congruent transformation of the electronic Hamiltonian is developed to address the electron correlation problem in many-electron systems. The central strategy presented in this method is to perform transformation on the electronic…

Recent experimental breakthroughs, particularly for single-qubit and two-qubit gates exceeding the error correction threshold, highlight silicon spin qubits as leading candidates for fault-tolerant quantum computation. In the existing…

Correlator product states (CPS) are a class of tensor network wavefunctions applicable to strongly correlated problems in arbitrary dimensions. Here, we present a method for optimizing and evaluating the energy of the CPS wavefunction that…

There has been an extensive development in the use of multi-partite entanglement as a resource for various quantum information processing tasks. In this paper we focus on preparing arbitrary spin eigenstates whose subset contain important…

We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger's method of invariants, expanding about Gamma and M points in…

It has recently been shown that the SOiCI approach [J. Phys.: Condens. Matter 34 (2022) 224007], in conjunction with the spin-separated exact two-component relativistic Hamiltonian, can provide very accurate fine structures of systems…

Current Non-Orthogonal Configuration Interaction (NOCI) methods often use a set of Self-Consistent Field (SCF) states selected based on chemical intuition. However, it may be challenging to track these SCF states across a dissociation…

We introduce and benchmark a systematically improvable route for excited-state calculations, state-specific configuration interaction ($\Delta$CI), \alert{which is a particular realization of multiconfigurational self-consistent field and…

Spin-orbit coupling in organic crystals is responsible for many spin-relaxation phenomena, going from spin diffusion to intersystem crossing. With the goal of constructing effective spin-orbit Hamiltonians to be used in multiscale…

Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…

A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…

Once called a "classically non-describable two-valuedness" by Pauli , the electron spin is a natural resource for long-lived quantum information since it is mostly impervious to electric fluctuations and can be replicated in large arrays…

We report an investigation of the structure of $^{12}$C nucleus employing a newly developed configuration-mixing method. In the three-dimensional coordinate-space representation, we generate a number of Slater determinants with various…

Strongly-interacting artificial spin systems are moving beyond mimicking naturally-occurring materials to emerge as versatile functional platforms, from reconfigurable magnonics to neuromorphic computing. Typically artificial spin systems…

The configuration interaction approach provides a conceptually simple and powerful approach to solve the Schr\"odinger equation for realistic molecules and materials but is characterized by an unfavourable scaling, which strongly limits its…

We develop a systematic framework for the spin adaptation of the cumulants of p-particle reduced density matrices (RDMs), with explicit constructions for p = 1 to 3. These spin-adapted cumulants enable rigorous treatment of both S_z and S^2…