LARGE ATOMIC and NUCLEAR THREE-BODY SYSTEMS: SCATTERING and BINDING

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Universality of Brunnian (N-body Borromean) four- and five-body systems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

MANY-BODY PROBLEMS WITH COMPOSITE-PARTICLES AND Q-HEISENBERG ALGEBRAS

We propose to employ deformed commutation relations to treat many-body problems of composite particles. The deformation parameter is interpreted as a measure of the effects of the statistics of the internal degrees of freedom of the composite particles. A simple application of the method is made for the case of a gas of composite bosons.

Scales and Universality in Few-Body Systems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Scaling limit of virtual states of triatomic systems

Natural scales determine the physics of quantum few-body systems with short-range interactions. Thus, the scaling limit is found when the ratio between the scattering length and the interaction range tends to infinity, while the ratio between the physical scales are kept fixed. From the formal point of view, the relation of the scaling limit and the renormalization aspects of a few-body model with a zero-range interaction, through the derivation of subtracted three-body T-matrix equations that are renormalization-group invariant.

Halo nuclei in a three-body model and universal characteristics of low-energy few-body systems

Within general characteristics of low-energy few-body systems, we revise some well-known correlations found in nuclear physics, and the properties of low-mass halo nuclei in a three-body neutron-neutron-core model. In this context, near the critical conditions for the occurrence of an Efimov state, we report some results obtained for the neutron- 19C elastic scattering. © 2010 American Institute of Physics.

Scales, Universality and Finite-Range Correction in Three-body Systems

The scale invariance manifested by the weakly-bound Efimov states implies that all the Efimov spectrum can be merged in a single scaling function. By considering this scaling function, the ratio between two consecutive energy levels, E3 (N+1) and E3 (N), can be obtained from a two-body low-energy observable (usually the scattering length a), given in units of the three-body energy level N. The zero-ranged scaling function is improved by incorporating finite range corrections in first order of r0/a (r0 is the potential effective range). The critical condition for three-identical bosons in s-wave, when the excited E3 (N+1) state disappears in the 2 + 1 threshold, is given by √E2/E3 (N) ≈ 0.38+0.12(r0/a). © 2012 Springer-Verlag.

Tjon Lines and Scaling Limit in Four-Body Systems

The fixed-slope correlation between tetramer and trimer binding energies, observed by Tjon in the context of nuclear physics, is mainly a manifestation of the dominance of the two-nucleon force in the nuclear potential, which makes the four-body scale on the order of the three-body one. In a more general four-boson case, the correlation between tetramer and trimer binding energies has a non-fixed slope, which expresses the dependence on the new scale. The associated scaling function generates a family of Tjon lines. This conclusion relies on a recent study with weakly-bound four identical bosons, within a renormalized zero-range Faddeev-Yakubovsky formalism. © 2012 Springer-Verlag.

Mass-imbalanced three-body systems in two dimensions

We consider three-body systems in two dimensions with zero-range interactions for general masses and interaction strengths. The momentum-space Schrödinger equation is solved numerically and in the Born-Oppenheimer (BO) approximation. The BO expression is derived using separable potentials and yields a concise adiabatic potential between the two heavy particles. The BO potential is Coulomb-like and exponentially decreasing at small and large distances, respectively. While we find similar qualitative features to previous studies, we find important quantitative differences. Our results demonstrate that mass-imbalanced systems that are accessible in the field of ultracold atomic gases can have a rich three-body bound state spectrum in two-dimensional geometries. Small light-heavy mass ratios increase the number of bound states. For 87Rb-87Rb-6Li and 133Cs- 133Cs-6Li we find respectively three and four bound states. © 2013 IOP Publishing Ltd.

Método do hamiltoniano termodinamicamente equivalente para sistemas de muitos corpos

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Contact parameters in two dimensions for general three-body systems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Mass-Imbalanced Three-Body Systems in 2D: Bound States and the Analytical Approach to the Adiabatic Potential

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Universality of Three-Body Systems in 2D: Parametrization of the Bound States Energies

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Applying many-body expansion aiming to make ab in initio molecular dynamics more efficient

In this present work we present a methodology that aims to apply the many-body expansion to decrease the computational cost of ab initio molecular dynamics, keeping acceptable accuracy on the results. We implemented this methodology in a program which we called ManBo. In the many-body expansion approach, we partitioned the total energy E of the system in contributions of one body, two bodies, three bodies, etc., until the contribution of the Nth body [1-3]: E = E1 + E2 + E3 + …EN. The E1 term is the sum of the internal energy of the molecules; the term E2 is the energy due to interaction between all pairs of molecules; E3 is the energy due to interaction between all trios of molecules; and so on. In Manbo we chose to truncate the expansion in the contribution of two or three bodies, both for the calculation of the energy and for the calculation of the atomic forces. In order to partially include the many-body interactions neglected when we truncate the expansion, we can include an electrostatic embedding in the electronic structure calculations, instead of considering the monomers, pairs and trios as isolated molecules in space. In simulations we made we chose to simulate water molecules, and use the Gaussian 09 as external program to calculate the atomic forces and energy of the system, as well as reference program for analyzing the accuracy of the results obtained with the ManBo. The results show that the use of the many-body expansion seems to be an interesting approach for reducing the still prohibitive computational cost of ab initio molecular dynamics. The errors introduced on atomic forces in applying such methodology are very small. The inclusion of an embedding electrostatic seems to be a good solution for improving the results with only a small increase in simulation time. As we increase the level of calculation, the simulation time of ManBo tends to largely decrease in relation to a conventional BOMD simulation of Gaussian, due to better scalability of the methodology presented. References [1] E. E. Dahlke and D. G. Truhlar; J. Chem. Theory Comput., 3, 46 (2007). [2] E. E. Dahlke and D. G. Truhlar; J. Chem. Theory Comput., 4, 1 (2008). [3] R. Rivelino, P. Chaudhuri and S. Canuto; J. Chem. Phys., 118, 10593 (2003).