相关论文: Relativistic semistochastic heat-bath configuratio…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
This report concerns the energy of a zero-temperature many-body system of spin 1/2 fermions interacting via a two-body potential with a free space infinite scattering length and zero effective range; the Unitary limit. Given the…
Spin Hamiltonians, like the Heisenberg model, are used to describe magnetic properties of exchange-coupled molecules and solids. For finite clusters, physical quantities such as heat capacities, magnetic susceptibilities or…
We introduce a novel numerical method to integrate partial differential equations representing the Hamiltonian dynamics of field theories. It is a multi-symplectic integrator that locally conserves the stress-energy tensor with an excellent…
The spectral properties of $su(2)$ Hamiltonians are studied for energies near the critical classical energy $\epsilon_c$ for which the corresponding classical dynamics presents hyperbolic points (HP). A general method leading to an…
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…
A fermion realization of the compact symplectic sp(4) algebra provides a natural framework for studying isovector pairing correlations in nuclei. While these correlations manifest themselves most clearly in the binding energies of 0^+…
We use the recently-developed Heat-bath Configuration Interaction (HCI) algorithm as an efficient active-space solver to perform multi-configuration self-consistent field calculations (HCISCF) with large active spaces. We give a detailed…
Motivated by the recent Ge hole spin qubit experiments, we construct and study a two-leg spin ladder from a quantum dot array with spin-orbit couplings (SOCs), aiming to uncover the many-body phase diagrams and provide concrete guidance for…
For a system of $N$ bosons in one space dimension with two-body $\delta$-interactions the Hamiltonian can be defined in terms of the usual closed semi-bounded quadratic form. We approximate this Hamiltonian in norm resolvent sense by…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
Entanglement Hamiltonians provide the most comprehensive characterisation of entanglement in extended quantum systems. A key result in unitary quantum field theories is the Bisognano-Wichmann theorem, which establishes the locality of the…
The cold(neutronless) fission of $^{252}$Cf is studied in the frame of a molecular model in which the scission configuration is described by two aligned fragments interacting by means of Coulomb (+ nuclear) forces. The study is carried out…
Quantum-chemical calculations aimed at deriving magnetic coupling constants in exchange-coupled spin clusters commonly utilize a broken-symmetry (BS) approach. This involves calculating several distinct collinear spin configurations,…
A large-scale relativistic configuration-interaction (CI) calculation is performed for the magnetic-dipole and the electric-quadrupole hyperfine structure splitting in ^{7,6}Li and ^9Be^+. Numerical results for the 2^2S, 3^2S, 2^2P_{1/2},…
In this paper the system of a semi-relativistic particle interacting with a scalar Bose field is investigated. The ultraviolet cutoff condition is imposed on the Bose field. In the main theorem, the functional integral representation of the…
We report the influence of static mechanical deformation on the zero-field splitting of silicon vacancies in silicon carbide at room temperature. We use AlN/6H-SiC heterostructures deformed by growth conditions and monitor the stress…
Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…
We propose a novel quantum Monte Carlo method in configuration space, which stochastically samples the contribution from a large secondary space to the effective Hamiltonian in the energy dependent partitioning of L\"owdin. The method…
We present a semi-analytical approach for studying quantum thermal energy transport beyond the weak system-bath coupling regime. Our treatment, which results in a renormalized, effective Hamiltonian model is based on the reaction coordinate…