Related papers: Extension of the composite CBS-QB3 method to singl…
We investigate the convergence of coupled-cluster correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas to gain a better understanding of the basis set incompleteness error. To…
We present the first experimental measurement of the ensemble averages of both the kinetic and interaction energies of the three-dimensional Bose--Hubbard model at finite temperature and various optical lattice depths across weakly to…
The energy gap between the lowest-lying singlet and triplet states is an important quantity in chemical photocatalysis, with relevant applications ranging from triplet fusion in optical upconversion to the design of organic light-emitting…
Since b quark mass is not asymptotically large, chirally enhanced corrections which arise from twist-3 wave functions may be important in B decays. We thus evaluate the hadronic matrix elements with the final light pseudoscalar mesons…
The deformed energy method has shown to be a good option for dimensional synthesis of mechanisms. In this paper the introduction of some new features to such approach is proposed. First, constraints fixing dimensions of certain links are…
Strong-coupling series expansions are calculated for the Hamiltonian version of compact lattice electrodynamics in (2+1) dimensions, with 4-component fermions. Series are calculated for the ground-state energy per site, the chiral…
We study the single-particle spectral function of resonantly-interacting fermions in the unitary regime, as described by the three-dimensional attractive Hubbard model in the dilute limit. Our approach, based on the Dynamical Cluster…
We propose a novel quasiparticle interpretation of the equation of state of deconfined QCD at finite temperature. Using appropriate thermal masses, we introduce a phenomenological parametrization of the onset of confinement in the vicinity…
While recent advances have established efficient quantum algorithms for preparing Gibbs states of finite-dimensional systems, comparable complexity results for bosonic and other infinite-dimensional models remain unexplored. We introduce…
Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular…
We analyze the equations of quantum electrodynamics and establish that the electron must be described by two bispinors that satisfy two mutually connected Dirac equations. The equations of the electronic and electromagnetic fields are…
We study the spin-$1/2$ two-dimensional Shastry-Sutherland spin model by exact diagonalization of clusters with periodic boundary conditions. We develop an improved level spectroscopic technique using energy gaps between states with…
We investigate the BCS pairing in a mixture of fermionic polar molecules with two different hyperfine states. We derive a set of coupled gap equations and find that this system supports both spin-singlet and -triplet BCS pairs. We also…
We present a new linear scaling method for the energy minimization step of semiempirical and first-principles Hartree-Fock and Kohn-Sham calculations. It is based on the self-consistent calculation of the optimum localized orbitals of any…
A recently proposed modified perturbation expansion for QCD is employed to evaluate the quark self-energies. Results of the order of 1/3 of the nucleon mass are obtained for the effective masses of the up and down quarks in a first…
A calculational scheme is developed to evaluate chiral corrections to properties of composite baryons with composite pions. The composite baryons and pions are bound states derived from a microscopic chiral quark model. The model is…
In this paper, we provide estimates for the additive discretized energy of \[\sum_{c\in C} |\{(a_1, a_2, b_1, b_2)\in A^2\times B^2: |(a_1 +cb_1) - (a_2 + cb_2)|\le \delta\}|_{\delta},\] that depend on non-concentration conditions of the…
We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic…
We provide an overview of the successive steps that made possible to obtain increasingly accurate excitation energies with computational chemistry tools, eventually leading to chemically accurate vertical transition energies for small- and…
We present a theoretical study of a four-electron four-quantum-dot system based on molecular orbital methods, which hosts a pair of singlet-triplet spin qubits. We explicitly take into account of the admixture of electron wave functions in…