相关论文: Wei Hua's Four Parameter Potential Comments and Co…

Accurate spectroscopic constants and electrical properties of small molecules are determined by means of W4 and post-W4 theories. For a set of 28 first- and second-row diatomic molecules for which very accurate experimental spectroscopic…

The Configuration Interaction (CI) method using a large Laguerre basis restricted to l = 0 orbitals is applied to the calculation of the He ground state. The maximum number of orbitals included was 60. The numerical evidence suggests that…

The ground and excited states of the 3H and 4He nuclei are studied in the framework of group-theoretical methods. Basis functions of the unitary scheme model corresponding to even numbers of quanta of excitation in the range from zero to…

Bound-state spectra of shifted Deng-Fan oscillator potential are studied by means of a generalized pseudospectral method. Very accurate results are obtained for \emph{both low as well as high} states by a non-uniform optimal discretization…

Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…

Polarizability is a key response property of physical and chemical systems, which has an impact on intermolecular interactions, spectroscopic observables, and vacuum polarization. The calculation of polarizability for quantum systems…

The unique properties of central potential of the form $-\beta e^{-r}r^{\gamma}$ were studied using the recently developed critical parameter technique. The particular cases of $\gamma=0$ and $\gamma=-1$ yield, respectively, the exponential…

Following recent work in search of a universal function (Van Hooydonk, Eur J Inorg Chem, 1999, 1617), we test symmetric potentials for reproducing molecular potential energy curves (PECs). For a bond, a four-particle system, charge…

A general formalism is used to express the long-range potential energies in inverse powers of the separation distance between two like atomic or molecular systems with $P$ symmetries. The long-range molecular interaction coefficients are…

An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…

A simple method for calculating the asymptotic $D$ state observables for light nuclei is suggested. The method exploits the dominant clusters of the light nuclei. The method is applied to calculate the $^4He$ asymptotic $D$ to $S$…

Matching for a wavefunction the WKB expansion at large distances and Taylor expansion at small distances leads to a compact, few-parametric uniform approximation found in {\it J. Phys. B44, 101002 (2011)}. The ten low-lying eigenstates of…

We build the first analytic empirical potential for the most deeply bound $\mbox{Li}_{2}$ state: $b\left(1^{3}\Pi_{u}\right)$. Our potential is based on experimental energy transitions covering $v=0-34$, and very high precision theoretical…

We study one dimensional binary Probabilistic Cellular Automaton (PCA) that interpolate between Wolfram's classical rules 23, 77, 178 and 232. These rules are the only ones that satisfy two criteria: (i) in the case of a majority in the…

Davidson potentials of the form $\beta^2 +\beta_0^4/\beta^2$, when used in the E(5) framework, bridge the U(5) and O(6) symmetries, while they bridge the U(5) and SU(3) symmetries when used in the X(5) framework. Using a variational…

In this paper, we present an approximate expression for determining the effective permittivity describing the coherent propagation of an electromagnetic wave in random media. Under the Quasicrystalline Coherent Potential Approximation…

A measurement of the magnitude of the electric dipole moment of the electron (eEDM) larger than that predicted by the Standard Model (SM) of particle physics is expected to have a huge impact on the search for physics beyond the SM. Polar…

Using three different approaches, Perturbation Theory (PT), the Lagrange Mesh Method (Lag-Mesh) and the Variational Method (VM), we study the low-lying states of the Yukawa potential $V(r)=-(\lambda/r)e^{-\alpha r}\,$. First orders in PT in…

This article continues the series of works by the authors on the approximation of the electronic terms of diatomic molecules by the Morse formula, which is the simplest anharmonic approximation of the real term U(r). Depending on the choice…

We introduce the alchemical harmonic approximation (AHA) of the absolute electronic energy for charge-neutral iso-electronic diatomics at fixed interatomic distance $d_0$. To account for variations in distance, we combine AHA with this…