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Many model potential energy surfaces (PESs) have been reported for water; however, none are strictly from "first principles". Here we report such a potential, based on a many-body representation at the CCSD(T) level of theory up to the…

Chemical Physics · Physics 2022-06-28 Qi Yu , Chen Qu , Paul L. Houston , Riccardo Conte , Apurba Nandi , Joel M. Bowman

Gravitational and electromagnetic interactions are Hamiltonian systems with forces between pairs of particles. We propose an alternative: Hamiltonian dynamics with triplet interactions between point particles. Our system has a potential…

Chaotic Dynamics · Physics 2025-07-22 J. D. Meiss

Trigonometric Rosen-Morse potential is suggested as the quark-antiquark interaction potential for studying the thermodynamic properties and the masses of heavy and heavy-light mesons. For this purpose, N-radial Schrodinger equation is…

High Energy Physics - Phenomenology · Physics 2020-01-08 M. Abu-Shady , Sh. Y. Ezz-Alarab

The goal of the present work is to obtain accurate potential energy surfaces (PES) for high-dimensional molecular systems with a small number of ${\it ab}$ ${\it initio}$ calculations in a system-agnostic way. We use probabilistic modeling…

Computational Physics · Physics 2020-08-27 Hiroki Sugisawa , Tomonori Ida , Roman V. Krems

We derive four-dimensional relativistic three-body equations for the case of a field theory with a three-point interaction vertex. These equations describe the coupled 2->2, 2->3, and 3->3 processes, and provide the means of calculating the…

Nuclear Theory · Physics 2009-10-28 A. N. Kvinikhidze , B. Blankleider

Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…

Chemical Physics · Physics 2025-11-04 Valerii Andreichev , Sena Aydin , Kai Töpfer , Markus Meuwly , Luis Itza Vazquez-Salazar

In the present paper we study the low density Bose gas in the thermodynamic limit interacting via two-body and three-body interaction potentials. We prove that the leading order of the ground state energy is entirely characterised by both…

Mathematical Physics · Physics 2026-01-27 François L. A. Visconti

A three-body calculation of the reaction $\gamma d\to\eta np$ in the energy region from threshold up to 30 MeV above has been performed. The primary goal of this study is to assess the importance of the three-body aspects in the hadronic…

Nuclear Theory · Physics 2009-11-06 A. Fix , H. Arenhoevel

Ring polymer molecular dynamics (RPMD) has proven to be an accurate approach for calculating thermal rate coefficients of various chemical reactions. For wider application of this methodology, efficient ways to generate the underlying…

Chemical Physics · Physics 2020-01-08 Ivan S. Novikov , Alexander V. Shapeev , Yury V. Suleimanov

We discuss modeling of nuclear structure beyond the 2-body interaction paradigm. Our first example is related to the need of three nucleon contact interaction terms suggested by chiral perturbation theory. The relationship of the two…

Nuclear Theory · Physics 2019-08-27 V. G. Gueorguiev

A potential energy surface for the lowest quartet electronic state of lithium trimer is developed and used to study spin-polarized Li + Li_2 collisions at ultralow kinetic energies. The potential energy surface allows barrierless atom…

Chemical Physics · Physics 2009-11-13 Marko T. Cvitas , Pavel Soldan , Jeremy M. Hutson , Pascal Honvault , Jean-Michel Launay

The 3He transverse electron scattering response function R_T(q,omega) is calculated in the quasi-elastic peak region and beyond for momentum transfers q = 500, 600 and 700 MeV/c. Distinct from our previous work for these kinematics where we…

Recombination of H3+ with electrons was studied in a low temperature plasma in helium. The plasma recombination rate is driven by two body, H3+ + e, and three-body, H3+ + e + He, processes with the rate coefficients 7.5x10^{-8}cm3/s and…

The role of the $\eta NN$-interaction is studied in the low energy regime in $\eta$-deuteron reactions as well as in coherent and incoherent $\eta$-photoproduction on the deuteron using a three-body model with separable two-body…

Nuclear Theory · Physics 2009-11-07 A. Fix , H. Arenhoevel

Coupled-channel three-body calculations of an $I=1/2$, $J^{\pi}=0^-$ $\bar{K}NN$ quasi-bound state in the $\bar{K}NN - \pi \Sigma N$ system were performed and the dependence of the resulting three-body energy on the two-body $\bar{K}N - \pi…

Nuclear Theory · Physics 2008-11-26 N. V. Shevchenko , A. Gal , J. Mareš , J. Révai

We show that for ultra-cold neutral bosonic atoms held in a three-dimensional periodic potential or optical lattice, a Hubbard model with dominant, attractive three-body interactions can be generated. In fact, we derive that the effect of…

Quantum Gases · Physics 2016-05-04 Saurabh Paul , P. R. Johnson , Eite Tiesinga

Three-body hadronic models with separable pairwise interactions are formulated and solved to calculate resonance masses and widths of L=0 N-Delta and Delta-Delta dibaryons using relativistic kinematics. For N-Delta, I(JP)=1(2+) and 2(1+)…

Nuclear Theory · Physics 2014-08-06 Avraham Gal , Humberto Garcilazo

In this work we study 2- and 3-body oscillators with quadratic and sextic pairwise potentials which depend on relative distances, $|{\bf r}_i - {\bf r}_j |$, between particles. The two-body harmonic oscillator is two-parametric and can be…

Mathematical Physics · Physics 2021-09-23 Alexander V Turbiner , Willard Miller , Adrian M Escobar-Ruiz

Calculations of transition intensities for small molecules like H$_2$O, CO, CO$_2$ based on s high-quality potential energy surface (PES) and dipole moment surface (DMS) can nowadays reach sub-percent accuracy. An extension of this…

We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…

Chemical Physics · Physics 2021-01-27 Michał Lesiuk , Monika Musiał , Robert Moszynski