Related papers: Strongly correlated wave functions for artificial …
We describe a numerical method that simulates the interaction of the helium atom with sequences of femtosecond and attosecond light pulses. The method, which is based on the close-coupling expansion of the electronic configuration space in…
The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical system features a two-dimensional ordered distribution of spins…
We formulate a new quasi-Hermitian delta-shell pseudopotential for higher partial wave scattering, and show that any such potential must have an energy-dependent regularization. The quasi-Hermiticity of the Hamiltonian leads to a complete…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
A new ATSP2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non relativistic or relativistic Breit-Pauli approximation. It is first…
We present excitation energy spectra of few-electron vertically coupled quantum dots for strong and intermediate inter-dot coupling. By applying a magnetic field, we induce ground state transitions and identify the corresponding quantum…
We present the implementation of a variational finite element solver in the HelFEM program for benchmark calculations on diatomic systems. A basis set of the form $\chi_{nlm}(\mu,\nu,\phi)=B_{n}(\mu)Y_{l}^{m}(\nu,\phi)$ is used, where…
We revisit scattering of electromagnetic waves from metallic and semiconducting cylinders in the framework of complex angular momentum techniques. We prove that "resonant surface polariton modes" are generated by a unique surface wave, i.e.…
An exact method for direct calculation of the Jost functions and Jost solutions for non-central potentials which couple partial waves of different angular momenta is presented. A combination of the variable-constant method with the complex…
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation…
In this article, we discuss how a kind of hybrid computation, which employs symbolic, numeric, classic, and quantum algorithms, allows us to conduct Hartree-Fock electronic structure computation of molecules. In the proposed algorithm, we…
The scattering of neutral particles by an atomic nucleus can lead to electronic ionisation and excitation through a process known as the Migdal effect. We revisit and improve upon previous calculations of the Migdal effect, using the…
Spins in semiconductor quantum dots constitute a promising platform for scalable quantum information processing. Coupling them strongly to the photonic modes of superconducting microwave resonators would enable fast non-demolition readout…
The states of two electrons in tunnel-coupled semiconductor quantum dots can be effectively described in terms of a two-spin Hamiltonian with an isotropic Heisenberg interaction. A similar description needs to be generalized in the case of…
The LDA+U method is widely used to study the properties of realistic solids with strong electron correlations. One of its main shortcomings is that it does not provide direct access to the temperature dependence of material properties such…
We load atoms into every site of an optical lattice and selectively spin flip atoms in a sublattice consisting of every other site. These selected atoms are separated from their unselected neighbors by less than an optical wavelength. We…
Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional…
We have realized a hybrid solid-state quantum device in which a single-electron semiconductor double quantum dot is dipole coupled to a superconducting microwave frequency transmission line resonator. The dipolar interaction between the two…
It is shown that it is possible to construct the quantum wave functions for non-separable but integrable two-dimensional Hamiltonian systems, by solving suitable Dirichlet boundary values problems inside and outside the regions spanned by…
The ability to coherently couple arbitrary harmonic oscillators in a fully-controlled way is an important tool to process quantum information. Coupling between quantum harmonic oscillators has previously been demonstrated in several…