The ground state of weakly bound dimers and trimers with a radius extending well into the classically forbidden region is explored, with the goal to test the predicted universality of quantum halo states. The focus of the study is molecules consisting of T↓, D↓, ^{3}He, ^{4}He, and alkali atoms, where the interaction between particles is much better known than in the case of nuclei, which are traditional examples of quantum halos. The study of realistic systems is supplemented by model calculations in order to analyze how low-energy properties depend on the interaction potential. The use of variational and diffusion Monte Carlo methods enabled a very precise calculation of both the size and binding energy of the trimers. In the quantum halo regime, and for large values of scaled binding energies, all clusters follow almost the same universal line. As the scaled binding energy decreases, Borromean states separate from tango trimers.

Using quantum Monte Carlo methods we have studied dilute Bose-Bose mixtures with attractive interspecies interaction in the limit of zero temperature. The calculations are exact within some statistical noise and thus go beyond previous perturbative estimations. By tuning the intensity of the attraction, we observe the evolution of an N -particle system from a gas to a self-bound liquid drop. This observation agrees with recent experimental findings and allows for the study of an ultradilute liquid never observed before in Nature.

Universality of quantum halo states enables comparison of systems from different fields of physics, as demonstrated in two-and three-body clusters. In the present work, we studied weakly-bound helium tetramers in order to test whether some of these four-body realistic systems qualify as halos. Their ground-state binding energies and structural properties were thoroughly estimated using the diffusion Monte Carlo method with pure estimators. Helium tetramer properties proved to be less sensitive on the potential model than previously evaluated trimer properties. We predict the existence of the realistic four-body halo 4 He 2 3 He 2 , while 4 He 4 and 4 He 3 3 He are close to the border and thus can be used as prototypes of quasi-halo systems. Our results could be tested by experimental determination of tetramers' structural properties, using a similar setup to the one developed for the study of helium trimers.

Universal relationship of scaled size and scaled energy, which was previously established for two- and three-body systems in their ground state, is examined for four-body systems, using Quantum Monte Carlo simulations. We study in detail the halo region, in which systems are extremely weakly bound. Strengthening the interparticle interaction we extend the exploration all the way to classical systems. Universal size-energy law is found for homogeneous tetramers in the case of interaction potentials decaying predominantly as r −6 . In the case of mixed tetramers, we also show under which conditions the universal line can approximately describe the size-energy ratio. The universal law can be used to extract ground-state energy from experimentally measurable structural characteristics, as well as for evaluation of theoretical interaction models.

Over the years many He-He interaction potentials have been developed, some very sophisticated, including various corrections beyond Born-Oppenheimer approximation. Most of them were used to predict properties of helium dimers and trimers, examples of exotic quantum states, whose experimental study proved to be very challenging. Recently, detailed structural properties of helium trimers were measured for the first time, allowing a comparison with theoretical predictions and possibly enabling the evaluation of different interaction potentials. The comparisons already made included adjusting the maxima of both theoretical and experimental correlation functions to one, so the overall agreement between theory and experiment appeared satisfactory. However, no attempt was made to evaluate the quality of the interaction potentials used in the calculations. In this work, we calculate the experimentally measured correlation functions using both new and old potentials, compare them with experimental data and rank the potentials. We use diffusion Monte Carlo simulations at T = 0, which give within statistical noise exact results of the ground state properties. All models predict both trimers 4 He 3 and 4 He 2 3 He to be in a quantum halo state.