相关论文: Realistic interatomic potential for MD simulations
We revisited the electronic structure parameters used to interpret the hyperfine structure of neutral polonium. We used a computational scheme that treats relativistic and high-order electronic correlation effects within the coupled cluster…
Molecular dynamics simulations and integral equation calculations of a simple equimolar mixture of diatomic molecules and monomers interacting via attractive and repulsive short-range potentials show the existence of pattern formation…
A microscopic study of proton elastic scattering from unstable nuclei at intermediate energies using a relativistic formalism is presented. We have employed both the original relativistic impulse approximation (IA1) and the generalised…
The three variant of the potentials with tensor part and ioao containing unobservable forbidden states and having one fitted parameter are considered. Parameter of such potentials is fixed only on the base low energy NN characteristics and…
Using the SU6 quark-model baryon-baryon interaction recently developed by the Kyoto-Niigata group, we calculate NN, Lambda N and Sigma N G-matrices in ordinary nuclear matter. This is the first attempt to discuss the Lambda and Sigma…
The nucleon mean-field potential has been thoroughly investigated in an extended Hartree-Fock (HF) calculation of nuclear matter (NM) using the CDM3Y3 and CDM3Y6 density dependent versions of the M3Y interaction. The single-particle (s/p)…
An effective set of the Hartree-Fock (HF) equations are derived for electrons of the muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the…
Finite element analysis has been used successfully to estimate the effective properties of many types of composites. The prediction of effective elastic moduli of polymer-bonded explosives provides a new challenge. These particulate…
We present the first \emph{ab initio} calculation of elastic Compton scattering from 4He. It is carried out to $\mathcal{O}(e^2 \delta^3)$ [N3LO] in the $\delta$ expansion of $\chi$EFT. At this order and for this target, the only free…
Using hadron dynamics we calculate nuclear transparencies for protons, knocked-out in high-$Q^2$, semi-inclusive reactions. Predicted transparencies are, roughly half a standard deviation above the NE18 data. The latter contain the effects…
In this work we describe a model for the exchange interaction of electrons, as it follows from the Pauli exclusion principle. Starting from Hartree-Fock theory and making use of the free electron-gas model we propose a simple scheme to…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
A numerical model is built, simulating the principles of kinetic gas theory, to predict pressures of molecules in a spherical pressure vessel; the model tracks a single particle and multiplies the force on the spherical walls by a mole of…
To explore the static properties of the one-dimensional anyon-Hubbard model for a mean density of one particle per site, we apply perturbation theory with respect to the ratio between kinetic energy and interaction energy in the Mott…
We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally…
Alpha elastic scattering of p-nuclei were studied for calculating optical potentials. Choice of the $\alpha$-optical potentials are important to measure the reaction rates of p-process. $^{106}$Cd$(\alpha,\alpha)^{106}$Cd and…
The optical potential is a powerful instrument for calculations on a wide variety of nuclear reactions, in particular, for quasi-elastic lepton-nucleus scattering. Phenomenological optical potentials are successful in the description of…
It is shown that the probe-independent charge radius of the neutrino is a physical observable; as such, it may be extracted from experiment, at least in principle. This is accomplished by expressing a set of experimental neutrino-electron…
The high-energy repulsive interaction between nuclei at distances much smaller than the equilibrium bond length is the key quantity determining the nuclear stopping power and atom scattering in keV and MeV radiation events. This interaction…
In Paper I, the effective one-electron potentials (OEP) method was introduced and demonstrated as an efficient approach to reduce the computational cost of evaluation of the charge-transfer interaction energy within the effective fragment…