Related papers: Three-body potential energy surface for parahydrog…
Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical and empirical results suggest that superior strategies can be…
We evaluate the interaction potential between a hydrogen and an antihydrogen using the second-order perturbation theory within the framework of the four-body system in a separable two-body basis. We find that the H-Hbar interaction…
A few-body formalism is applied for computation of two different three-charge-particle systems. The first system is a collision of a slow antiproton, $\bar{\rm{p}}$, with a positronium atom: Ps$=(e^+e^-)$ $-$ a bound state of an electron…
Effective interactions that fit the low energy p-$^3$He experimental data have been constructed. They are based on the Resonating Group Method and a modified Orthogonality Condition Model in which Pauli and partly Pauli forbidden states are…
High-quality potential energy surfaces (PES) are a prerequisite for quantitative atomistic simulations, with both quantum and classical dynamics approaches. The ultimate test for the validity of a PES are comparisons with judiciously chosen…
The presence of sulfur atoms on the Pd(100) surface is known to hinder the dissociative adsorption of hydrogen. Using density-functional theory and the full-potential linear augmented plane-wave method, we investigate the potential energy…
In relativistic frameworks, given by the Bethe-Salpeter and light-front bound state equations, the binding energies of system of three scalar particles interacting by scalar exchange particles are calculated. In contrast to two-body…
We have calculated quantum reactive and elastic cross-sections for D$^{+}+$ para-H$_2$($v$=0, $j$=0) $\rightarrow$ H$^+$ + HD collisons using the hyperspherical quantum reactive scattering method [Chem. Phys. Lett. 1990,169, 473]. The…
Full dimensional potential energy surfaces (PESs) based on machine learning (ML) techniques provide means for accurate and efficient molecular simulations in the gas- and condensed-phase for various experimental observables ranging from…
We consider the low density Bose gas in the thermodynamic limit with a three-body interaction potential. We prove that the leading order of the ground state energy of the system is determined completely in terms of the scattering energy of…
Three-charge-particle collisions with participation of ultra-slow antiprotons ($\bar{\rm{p}}$) is the subject of this work. Specifically we compute the total cross sections and corresponding thermal rates of the following three-body…
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…
Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom…
The fundamentals and higher vibrationally excited states for the N$_3^+$ ion in its electronic ground state have been determined from quantum bound state calculations on 3-dimensional potential energy surfaces (PESs) at the CCSD(T)-F12 and…
We analyze the dynamics and the geometric properties of the Potential Energy Surfaces (PES) of the k-Trigonometric Model (kTM), defined by a fully-connected k-body interaction. This model has no thermodynamic transition for k=1, a second…
We derive the asymptotic expansions of the wave function of three particles having equal mass with finite-range interactions and infinite or zero two-dimensional scattering length colliding at zero energy and zero orbital angular momentum,…
We address the issue of determining an effective two-body interaction for mean-field calculations of energies of many-body systems. We show that the effective interaction is proportional to the phase shift, and demonstrate this result in…
We explore the three-body problem in two dimensions using the adiabatic hyperspherical representation. We develop the main equations in terms of democratic hyperangular coordinates and determine several symmetry properties and boundary…
For a particular case of three-body scattering in 2 dimensions, we demonstrate analytically that the behaviour of the adiabatic potential is different from that of the hyperspherical coupling matrix elements, thereby leading to a phase…
The $\eta$-3N-interaction is studied within the four-body Faddeev-Yakubovsky theory adopting purely separable forms for the two- and three-body subamplitudes, limiting the basic two-body interactions to s-waves only. The corresponding…