Related papers: An efficient implementation of Slater-Condon rules
For the integrable spin-s XXZ chain we express explicitly any given spin-$s$ form factor in terms of a sum over the scalar products of the spin-1/2 operators. Here they are given by the operator-valued matrix elements of the monodromy…
The QCD sum rules for spin-dependent nucleon-nucleon interactions are formulated and their physical implications are studied. The basic object of the study is the correlation function of the nucleon interpolating field, where the matrix…
Choosing a basis set is the first step of a quantum chemistry calculation and it sets its maximum accuracy. This choice of orbitals is limited by strong technical constraints as one must be able to compute a large number of six dimensional…
Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our newcomputational toolbo x…
We consider a new splitting based on the Sherman-Morrison-Woodbury formula, which is particularly effective with iterative methods for the numerical solution of large linear systems. These systems involve matrices that are perturbations of…
Many applications in computational physics that use numerical integrators based on splitting and composition can benefit from the development of optimized algorithms and from choosing the best ordering of terms. The cost in programming and…
Scattering of a spin-1/2 particle off a spin-0 target is formulated based on a simple three-dimensional momentum-spin basis. The azimuthal behaviour of both the potential and the T-matrix elements leads to a set of integral equations for…
For the one-dimensional spin-1/2 XX model with either periodic or open boundary conditions, it is shown by using a fermionic approach that the matrix element of the spin operator $S^-_j$ ($S^-_{j}S^+_{j'}$) between two eigenstates with…
The nuclear matrix elements for the momentum quadrupole operator are important for the interpretation of precision atomic physics experiments that search for violations of local Lorentz and CPT symmetry and for new spin-dependent forces. We…
In lattice field theory, the interactions of elementary particles can be computed via high-dimensional integrals. Markov-chain Monte Carlo (MCMC) methods based on importance sampling are normally efficient to solve most of these integrals.…
By decoupling the geometric from the dynamical contributions in the scattering processes, we develop a method to compute the scattering matrix of electrons in a one-dimensional coherent conductor connected to two electrodes. In particular,…
We use QCD sum rules to determine the twist-two non-singlet operator matrix elements and fixed x structure functions paying particular regard to the estimate of the errors. Particularly for the matrix element determination, we find large…
We generalize entanglement detection with covariance matrices for an arbitrary set of observables. A generalized uncertainty relation is constructed using the covariance and commutation matrices, then a criterion is established by…
We initiate a research program for the systematic investigation of quantum superintegrable systems involving the interaction of two non-relativistic particles with spin $1/2$ moving in the three-dimensional Euclidean space. In this paper,…
We propose to use the spin-orbit interaction as a means to control electron spins in quantum dots, enabling both single qubit and two qubit operations. Very fast single qubit operations may be achieved by temporarily displacing the…
Self-driving labs (SDLs), employing automation and machine learning (ML) to accelerate experimental procedures, have enormous potential in the discovery of new materials. However, in thin film science, SDLs are mainly restricted to…
The precise positioning of dopant atoms within bulk crystal lattices could enable novel applications in areas including solid-state sensing and quantum computation. Established scanning probe techniques are capable tools for the…
We have derived orbital basis sets from scattering theory. They are expressed as polynomial approximations to the energy dependence of a set of partial waves, in quantized form. The corresponding matrices, as well as the Hamiltonian and…
We present a quantum algorithm for simulating quantum chemistry with gate complexity $\tilde{O}(N^{1/3} \eta^{8/3})$ where $\eta$ is the number of electrons and $N$ is the number of plane wave orbitals. In comparison, the most efficient…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…