Related papers: A note about the ground state of the hydrogen mole…
We compare the explicitly correlated Hylleraas and exponential basis sets in the evaluations of ground state of Li and Be$^+$. Calculations with Hylleraas functions are numerically stable and can be performed with the large number of basis…
We consider a hydrogen-like atom in a quantized electromagnetic field which is modeled by means of the semi-relativistic Pauli-Fierz operator and prove that the infimum of the spectrum of the latter operator is an eigenvalue. In particular,…
The term values of all rotational levels of the $^4$He${_2}^+\,X^+\,^2\Sigma_u^+\,(\nu^+=0)$ ground vibronic state with rotational quantum number $N^+\le 19$ have been determined with an accuracy of 8 x 10$^{-4}$ cm$^{-1}$ ($\sim{25}$ MHz)…
We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…
Now that the low temperature properties of quantum-mechanical many-body systems (bosons) at low density, $\rho$, can be examined experimentally it is appropriate to revisit some of the formulas deduced by many authors 4-5 decades ago. For…
A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…
We extend the Eckart theorem, from the ground state to excited statew, which introduces an energy augmentation to the variation criterion for excited states. It is shown that the energy of a very good excited state trial function can be…
The response of the system, consisting of two kinds of opposite-charged fermions and their bound states (hydrogen-like atoms), to the perturbation by the external electromagnetic field in low particle kinetic energies region is studied.…
A phenomenological formula based on liquid drop model has been proposed for ground state binding energies of nuclei. The effect due to bunching of single particle levels has been incorporated through a term resembling the one-body…
We consider asymptotics of the ground state energy of heavy atoms and molecules and derive it including Schwinger and Dirac corrections. We consider also related topics: an excessive negative charge, ionization energy and excessive negative…
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…
A two-level atom coupled to the radiation field is studied. First principles in physics suggest that the coupling function, representing the interaction between the atom and the radiation field, behaves like $\vert k \vert^{- 1/2}$, as the…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
The hydrogen negative ion H$^-$ is the simplest two-electron system that exists in nature. This system is not only important in astrophysics but it also serves as an ideal ground to study electron-electron correlations. The peculiar balance…
We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the…
From the semi-empirical formalisms of Bohr-Mottelson, a new model, based on the effect of beta- and gamma- head energies and the variable moment of inertia, was developed to calculate the ground state rotational band of almost all deformed…
Highly precise variational calculations of non-relativistic energies of the (2p^2)^3P^e state of Helium atom are presented.We get an upper bound energy E=-0.71050015565678 a.u.,the lowest yet obtained.
We present numerical studies of one- and two-photon excited states ordering in a number of polycyclic aromatic hydrocarbon molecules: coronene, hexa-peri-hexabenzocoronene and circumcoronene, all possessing $D_{6h}$ point group symmetry…
Two- and three-dimensional electron gases with a uniform neutralizing background are studied at negative compressibility. Parametrized expressions for the dielectric function are used to access this strong-coupling regime, where the…
It is proven that the lowest excitations $E_{low}(k)$ of one-dimensional half-integer spin generalized Heisenberg models and half-filled extended Hubbard models are $\pi$-periodic functions. For Hubbard models at fractional fillings…