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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…

Chemical Physics · Physics 2018-03-14 Patryk Jasik , Tymon Kilich , Jan Kozicki , Józef E. Sienkiewicz

The lowest doublet electronic state for the lithium trimer (2A') is calculated for use in three-body scattering calculations using the valence electron FCI method with atomic cores represented using an effective core potential. It is shown…

Chemical Physics · Physics 2015-05-13 Jason N. Byrd , John A. Montgomery , H. Harvey Michels , Robin Côté

The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The…

Atomic and Molecular Clusters · Physics 2009-11-11 Marko T. Cvitas , Pavel Soldan , Jeremy M. Hutson

We investigate three-boson recombination of equal mass systems as function of (negative) scattering length, mass, finite energy, and finite temperature. An optical model with an imaginary potential at short distance reproduces experimental…

Quantum Gases · Physics 2013-10-31 P. K. Sørensen , D. V. Fedorov , A. S. Jensen , N. T. Zinner

Following a strong analogy with two-dimensional physics, the three-body pseudo-potential in one dimension is derived. The Born approximation is then considered in the context of ultracold atoms in a linear harmonic waveguide. In the…

Quantum Gases · Physics 2019-01-30 Ludovic Pricoupenko

The 3-body recombination rate at threshold for distinguishable atoms with large negative pair scattering lengths is calculated in the zero-range approximation. The only parameters in this limit are the 3 scattering lengths and the Efimov…

Other Condensed Matter · Physics 2013-05-29 Eric Braaten , H. -W. Hammer , Daekyoung Kang , Lucas Platter

Analytic potentials are built for all four $^{2S+1}\Pi_{u/g}$ states of Li$_{2}$ dissociating to Li$(2S)$ + Li$(3P)$: $3b(3^{3}\Pi_{u})$, $3B(3^{1}\Pi_{u})$, $3C(3^{1}\Pi_{g}),$ and $3d(3^{3}\Pi_{g})$. These potentials include the effect of…

Chemical Physics · Physics 2015-09-24 Nikesh S. Dattani

Extremely weakly-bound three-boson systems are predicted to exhibit intriguing universal properties such as discrete scale invariance. Motivated by recent experimental studies of the ground and excited helium trimers, this work analyzes the…

Quantum Gases · Physics 2015-12-08 D. Blume

This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…

We present four-dimensional ab initio potential energy surfaces for the three spin states of the NH-NH complex. The potentials are partially based on the work of Dhont et al. [J. Chem. Phys. 123, 184302 (2005)]. The surface for the quintet…

We study Efimov physics for three identical bosons interacting via a pairwise square-well potential, analyze the validity of the separable approximation as a function of the interaction strength, and investigate what is needed to improve…

Atomic Physics · Physics 2019-01-08 Paul M. A. Mestrom , Thomas Secker , Ronen Kroeze , Servaas Kokkelmans

We map the three-body problem in two dimensions onto one particle in a three dimensional potential treatable by a purposely-developed boundary-matching-matrix method. We evaluate binding energies of trions $X^{\pm}$, excitons bound by a…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Bogdan Ganchev , Neil Drummond , Igor Aleiner , Vladimir Fal'ko

General formulas for calculating the several leading long-range interactions among three identical atoms where two atoms are in identical $S$ states and the other atom is in a $P$ state are obtained using perturbation theory for the…

Atomic Physics · Physics 2016-08-16 Pei-Gen Yan , Li-Yan Tang , Zong-Chao Yan , James F. Babb

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

We present a six-dimensional potential energy surface for the H2-H2 dimer based on ab initio electronic structure calculations. The surface is intended to describe accurately the bound and quasibound states of the dimers H2-H2, D2-D2, and…

Chemical Physics · Physics 2009-11-13 Robert J. Hinde

The non-additive three-body interaction potential for helium was computed using the coupled-cluster theory and the full configuration interaction method. The obtained potential comprises an improved nonrelativistic Born--Oppenheimer energy…

We investigate the prospects of combining a standard momentum space approach for ultracold three-body scattering with efficient coordinate space schemes to solve the underlying two-body problem. In many of those schemes the two-body problem…

Quantum Gases · Physics 2021-03-17 T. Secker , J. -L. Li , P. M. A. Mestrom , S. J. J. M. F. Kokkelmans

We derive Casimir-Polder and van der Waals potentials of one or two atoms with diamagnetic properties in an arbitrary environment of magnetoelectric bodies. The calculations are based on macroscopic quantum electrodynamics and leading-order…

Quantum Physics · Physics 2012-11-30 Stefan Yoshi Buhmann , Hassan Safari , Stefan Scheel , A. Salam

Using the multipolar expansion of electrostatic and magnetostatic potential energies, we characterize the long-range interactions between two weakly-bound diatomic molecules, taking as an example the paramagnetic Er$_2$ Feshbach molecules…

Atomic Physics · Physics 2017-04-11 Maxence Lepers , Goulven Quéméner , Eliane Luc-Koenig , Olivier Dulieu

We report a theoretical study on the long-range additive and nonadditive potentials for a three-body hybrid atom-atom-ion system composed of one ground $S$ state Li atom, one excited $P$ state Li atom and one ground $S$ state Li$^+$ ion,…

Atomic Physics · Physics 2021-09-02 Pei-Gen Yan , Li-Yan Tang , Zong-Chao Yan , James F. Babb
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