Related papers: First-principles modeling of three-body interactio…
The properties and the isospin dependence of the liquid-gas phase transition in hot asymmetric nuclear matter have been investigated within the framework of the finite temperature Brueckner-Hartree-Fock approach extended to include the…
This work constructs an advanced force field, the Completely Multipolar Model (CMM), to quantitatively reproduce each term of an energy decomposition analysis (EDA) for aqueous solvated alkali metal cations and halide anions and their ion…
The reformulated coupled-cluster method (CCM), in which average many-body potentials are introduced, provides a useful framework to organize numerous terms appearing in CCM equations, which enables us to clarify the structure of the CCM…
We investigate the behavior of mixed 3He-4He droplets on alkali surfaces at zero temperature, within the frame of Finite Range Density Functional theory. The properties of one single 3He atom on 4He_N4 droplets on different alkali surfaces…
In this paper we introduce a three-dimensional version of the Mercedes-Benz model to describe water molecules. In this model van der Waals interactions and hydrogen bonds are given explicitly through a Lennard-Jones potential and a Gaussian…
Several nitrogen-bearing molecules, such as methyl cyanide (or acetonitrile, CH$_3$CN) and methyl isocyanide (CH$_3$NC) of interest here, have been observed in various astrophysical environments. The accurate modeling of their abundance…
The quantum problem of four particles in $\mathbb{R}^d$ ($d\geq 3$), with arbitrary masses $m_1,m_2,m_3$ and $m_4$, interacting through an harmonic oscillator potential is considered. This model allows exact solvability and a critical…
Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly challenging due to the toxicity of uranium and computationally…
This work treats few-body systems consisting of neutrons interacting with a $^{4}{\mathrm{He}}$ nucleus. The adiabatic hyperspherical representation is utilized to solve the $N$-body Schr$\ddot{\mathrm{o}}$dinger equation for the three- and…
In this paper, hyperspherical three-body model formalism has been applied for the calculation energies of the low-lying bound $^{1,3}$S (L=0)-states of neutral helium and helium like Coulombic three-body systems having nuclear charge (Z) in…
We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number, and…
This work presents a comprehensive three-dimensional third-medium contact framework for modeling complex contact interactions in hyperelastic solids and pneumatically actuated systems. The proposed third-medium formulation embeds a…
The universal three-body dynamics in ultra-cold binary Fermi and Fermi-Bose mixtures is studied. Two identical fermions of the mass $m$ and a particle of the mass $m_1$ with the zero-range two-body interaction in the states of the total…
The transition from a few-body system to a many-body system can result in new length scales, novel collective phenomena or even in a phase transition. Such a threshold behavior was shown for example in 4He droplets, where 4He turns into a…
The four-body bound state with two-body interactions is formulated in Three-Dimensional approach, a recently developed momentum space representation which greatly simplifies the numerical calculations of few-body systems without performing…
The local environment and the energetic properties of one $^3$He atom solved in bulk superfluid $^4$He are studied by means of the diffusion Monte Carlo method. The chemical potential of the $^3$He impurity is calculated with a generalized…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
3He atoms dissolved in superfluid 4He may form dimers (3He)2 in two-dimensional geometries. We study dimer formation in films of dilute 3He-4He mixture. After designing a schematic 3He-3He interaction potential we calculate the dimer…
It is shown that the effective interaction strength of three bosons at small collision energies can be extracted from their wave function at zero energy. An asymptotic expansion of this wave function at large interparticle distances is…
We present a quantum Monte Carlo study of the solvation and spectroscopic properties of the Mg doped helium clusters MgHe$_n$ with $n=2-50$. Three high level (MP4, CCSD(T) and CCSDT) MgHe interaction potentials have been used to study the…