Related papers: A note about the ground state of the hydrogen mole…
Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among…
We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination…
A compact, few-parametric, physically adequate, 3-term variational trial function is used to calculate with high accuracy the energy of the ground state ${}^3\Pi_u$ of the hydrogen molecule ${\rm H}_2$ in strong magnetic field ${\bf B}$ in…
A simple, seven-parameter trial function is proposed for a description of the ground state of the Lithium atom. It includes both spin functions. Inter-electronic distances appear in exponential form as well as in a pre-exponential factor,…
A first detailed study of the ground state of the H$_3^+$ molecular ion in linear configuration, parallel to a magnetic field direction, and its low-lying $\Si,\Pi,\De$ states is carried out for magnetic fields $B=0-4.414 \times 10^{13} $G…
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule \hh in inclined configuration, where the molecular axis forms an angle $\theta$ with respect…
Five physics mechanisms of interaction leading to the binding of the ${\rm H}_3^+$ molecular ion are identified. They are realized in a form of variational trial functions and their respective total energies are calculated. Each of them…
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.…
A simple expression for a ground state energy for a two-electron atom is derived. For this, assumption based upon the Niels Bohr ''old'' quantum mechanics idea about electron correlation in a two-electron atom is exploited. Results are…
A detailed study of the ground state of the Coulomb system $(\al \al e e)$ which corresponds to the $He_2^{2+}$ molecular ion in a magnetic field $B=0-4.414 \times 10^{13} $ G in parallel configuration (infinitely massive $\al-$particles…
We perform the calculation of all relativistic and quantum electrodynamic corrections of the order of $\alpha^6\,m$ to the ground electronic state of a hydrogen molecule and present improved results for the dissociation and the fundamental…
A detailed study of the lowest states $1s_0, 2p_{-1}, 2p_0$ of the hydrogen atom placed in a magnetic field $B\in(0-4.414\times 10^{13} {\rm G})$ and their electromagnetic transitions ($1s_{0} \leftrightarrow 2p_{-1}$ and $ 1s_{0}…
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.…
Potential energy surfaces of the hydrogen molecular ion H$_2^+$ in the Born-Oppenheimer approximation are computed by means of the Riccati-Pad\'e method (RPM). The convergence properties of the method are analyzed for different states. The…
Using a single trial function we perform an accurate calculation of the ground state $1\sigma_g$ of the hydrogenic molecular ion $H^+_2$ in a constant uniform magnetic field ranging $0-10^{13}$ G. We show that this trial function also makes…
The electronic structure of the hydrogen molecule is investigated for the parallel configuration. The ground states of the Sigma manifold are studied for ungerade and gerade parity as well as singlet and triplet states covering a broad…
For the description of an H2 molecule an effective one-electron model potential is proposed which is fully determined by the exact ionization potential of the H2 molecule. In order to test the model potential and examine its properties it…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
Analytic consideration of the Bohr-Oppenheimer (BO) approximation for diatomic molecules is proposed: accurate analytic interpolation for potential curve consistent with its rovibrational spectra is found. It is shown that in the…
It is shown for two electron atoms that ground-state wavefunctions of the form \begin{equation} \Psi(\vec{r_{1}}, \vec{r_{2}})=\phi(\vec{r_{1}})\phi(\vec{r_{2}})(\cosh ar_{1}+\cosh ar_{2})(1+0.5 r_{12}e^{-b r_{12}}) \end{equation} where…