相关论文: Atomic physics: computer calculations and theoreti…
A calculation of two-electron QED effects to all orders in the nuclear binding strength parameter $Z\alpha$ is presented for the ground and $n = 2$ excited states of helium-like ions. After subtracting the first terms of the $Z\alpha$…
We perform quantum electrodynamic calculations of the ionization energy of the $1s3d$ states of the $^4$He atom, including a complete evaluation of the $m\alpha^6$ correction. We find a large contribution from the nonradiative part of this…
The helium ground state nonrelativistic energy with 24 significant digits is presented. The calculations are based on variational expansion with randomly chosen exponents. This data can be used as a benchmark for other approaches for many…
Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be…
In the first order of perturbation theory, the total energy of a diatomic molecule in the ground state is calculated taking into account the Pauli principle and plasma oscillations of atomic electrons. The Fourier component of the potential…
A full quantum mechanical calculation of partial cross-sections leading to different final states of antiprotonic helium atom was performed. Calculations were carried out for a wide range of antiprotonic helium states and incident (lab)…
Double photoionization by a single photon is often discussed in terms of two contributing mechanisms, {\it knock-out} (two-step-one) and {\it shake-off} with the latter being a pure quantum effect. It is shown that a quasi-classical…
Quantum computers have the potential to revolutionise our understanding of the microscopic behaviour of materials and chemical processes by enabling high-accuracy electronic structure calculations to scale more efficiently than is possible…
Energy levels of the $1sns$ and $1snp$ states of ions along the helium isoelectronic sequence from carbon to uranium are calculated, with $n=3$-$7$. The computation is performed within the relativistic configuration-interaction method,…
A variational treatment for a two-electron quantum dot (the artificial helium atom) is proposed which leads to exact answer for the ground state energy. Depending on the magnetic field value the singlet-triplet and triplet-triplet…
Considering the nuclear motion, the authors give out the nonrelativistic ground energy of a helium atom by using a simple but effective variational wave function with a flexible parameter $k$. Based on this result, the relativistic and…
The classical-quantum hybrid Variational Quantum Eigensolver algorithm is the most widely used approach in the Noisy Intermediate Scale Quantum era to obtain ground state energies of atomic and molecular systems. In this work, we extend the…
We describe a quantum computer based on electrons supported by a helium film and localized laterally by small electrodes just under the helium surface. Each qubit is made of combinations of the ground and first excited state of an electron…
We calculate the atomic structure of hydrogen and helium, atoms and molecules in an intense magnetic field, analytically and numerically with a judiciously chosen basis.
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
Quantum electrodynamical (QED) calculations of ionization energies of the $1snd\,D$ states are performed for the helium atom. We reproduce the previously known relativistic and QED effects up to order $m\alpha^5$ and extend the theory by…
Nonrelativistically forbidden, single-photon transition rates between low lying states of the helium atom are rigorously derived within quantum electrodynamics theory. Equivalence of velocity and length gauges, including relativistic…
Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…
We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…
Bohr's model agreed with the hydrogen spectrum results, but did not agree with the spectrum of Helium. Here we show that Bohr's model-based methods can calculate the experimental value (-79.005 eV) of Helium ground state energy correctly.…