Related papers: Parameterized optimized effective potential for th…
It is shown that the spectral points (bound states and resonances) generated by a central potential of a single-channel problem, can be found using rational parametrization of the S-matrix. To achieve this, one only needs values of the…
Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…
We introduce a diagrammatic quantum field formalism for the evaluation of normalized expectation values of operators, and suitable for systems with localized electrons. It is used to develop a convergent series expansion for the energy in…
The problem of calculating the four--nucleon bound state properties for the case of realistic two- and three-body nuclear potentials is studied using the hyperspherical harmonic (HH) approach. A careful analysis of the convergence of…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
We present a model of a coupled bosonic atom-molecule system, using the recently developed c-field methods as the basis in our formalism. We derive expressions for the s-wave scattering length and binding energy within this formalism, and…
We investigate the dynamics in the logarithmic galactic potential with an analytical approach. The phase-space structure of the real system is approximated with resonant detuned normal forms constructed with the method based on the Lie…
The standard way to calculate the Kohn-Sham orbitals utilizes an approximation of the potential. The approximation consists in a projection of the potential into a finite subspace of basis functions. The orbitals, calculated with the…
The quantum description of a particle moving in a deformed potential is investigated. A pseudostate (PS) basis is used to represent the states of the composite system. This PS basis is obtained by diagonalizing the system Hamiltonian in a…
Power models are needed to assess the power consumption of cellular Base Station (BS) on an abstract level. Currently available models are either too simplified to cover necessary aspects or overly complex. We provide a parameterized linear…
We consider the analytical properties of the eigenspectrum generated by a class of central potentials given by V(r) = -a/r + br^2, b>0. In particular, scaling, monotonicity, and energy bounds are discussed. The potential $V(r)$ is…
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations is introduced which results in an incremental expansion of…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
The optimized effective potential (OEP) approach has so far mainly been used in benchmark studies and for the evaluation of band gaps. In this work, we extend the application of the OEP by determining the analytical ionic forces within the…
It has recently been observed [Phys. Rev. Lett. 113, 113002 (2014)] that the ground-state energy may be obtained directly as a simple sum of augmented Kohn-Sham orbital energies, where it was ascertained that the corresponding one-body…
Estimating properties of quantum states, such as fidelities, molecular energies, and correlation functions, is a fundamental task in quantum information science. Due to the limitation of practical quantum devices, including limited circuit…
Using a straightforward extension of the analysis of Lieb and Wu, we derive a simple analytic form for the ground state energy of a one-dimensional Hubbard ring in the atomic limit. This result is valid for an \textit{arbitrary} number of…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…