Related papers: Hydrogen and Helium atoms in strong magnetic field…
We assume a triple geometric structure for the electromagnetic nuclear interaction. This nuclear electromagnetism is used to calculate the binding energies of the alpha particle and the A=3 isobar nuclides. The approximation for the…
Partitioning of helium atom's correlation energy into radial and angular contributions, although of fundamental interest, has eluded critical scrutiny. Conventionally, radial and angular correlation energies of helium atom are defined for…
The method and status of a study to provide numerical, high-precision values of the self-energy level shift in hydrogen and hydrogen-like ions is described. Graphs of the self energy in hydrogen-like ions with nuclear charge number between…
We leverage the power of neural quantum states to describe the ground state wave function of solid and liquid atomic hydrogen, including both electronic and protonic degrees of freedom. For static protons, the resulting Born-Oppenheimer…
We study hydrogen plasmas at magnetic fields B ~ 10^{12}-10^{13} Gauss, densities ~ 10^{-3}-10^3 g/cc and temperatures T ~ 10^{5.5}-10^{6.5} K, typical of photospheres of middle-aged cooling neutron stars. We construct an analytical free…
Calculating highly accurate thermochemical properties of condensed matter via wave function-based approaches (such as e.g. Hartree-Fock or hybrid functionals) has recently attracted much interest. We here present two strategies providing…
Sum rules for the energy levels of a hyperfine multiplet in a constant uniform magnetic field is presented. It is found that for any values of the electron angular moment and the nuclear spin there are certain linear combinations of energy…
The hyperspherical harmonics (HH) provide a complete basis for the expansion of atomic wave functions, but even for two particles the number of harmonics for a given order is not trivial and, as the number of electrons increases, this…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
We consider asymptotics of the ground state energy of heavy atoms and molecules in the self-generatedl magnetic field. Namely, we consider $$ H=((D-A)\cdot\boldsymbol{\sigma})^2-V $$ with $$V=\sum_{1\le m\le M} \frac{Z_m}{|x-y_m|}$$ and a…
The different point defects formed by two hydrogen atoms or two helium atoms in tungsten were investigated through first-principles calculation. The energetically favorable site for a hydrogen atom is tetrahedral interstitial site while…
We consider a hydrogen atom in the background spacetimes generated by an infinitely thin cosmic string and by a point-like global monopole. In both cases, we find the solutions of the corresponding Dirac equations and we determine the…
We present a nonperturbative numerical evaluation of the one-photon electron self energy for hydrogenlike ions with low nuclear charge numbers Z=1 to 5. Our calculation for the 1S state has a numerical uncertainty of 0.8 Hz for hydrogen and…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
The electron states in a size-quantaized coated semiconductor wire in a uniform magnetic field applied parallel to the wire axis is considered. The wave functions are found and the equation for determination of energy eigenvalues depending…
Energies and spatial observables for the $^1\Sigma_g$ state of the hydrogen molecule in magnetic fields parallel to the proton-proton axis are calculated with a guided random walk Feynman-Kac algorithm. We demonstrate that the accuracy of…
This paper calculates the quantized energy levels of the hydrogen atom, using a metaplectic-c prequantization bundle and a definition of a quantized energy level that was introduced by the author in a previous paper. The calculation makes…
A non-relativistic classification of charged molecular hydrogenic, helium and mixed helium-hydrogenic chains with one or two electrons which can exist in a strong magnetic field $B \lesssim 10^{16} $G is given. It is shown that for both…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…