A correlated many-body basis function is used to describe the (4)He trimer and small helium clusters ((4)He(N)) with N = 4-9. A realistic helium dimer potential is adopted. The ground state results of the (4)He dimer and trimer are in close agreement with earlier findings. But no evidence is found for the existence of Efimov state in the trimer for the actual (4)He-(4)He interaction. However, decreasing the potential strength we calculate several excited states of the trimer which exhibit Efimov character. We also solve for excited state energies of these clusters which are in good agreement with Monte Carlo hyperspherical description.
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http://dx.doi.org/10.1063/1.3583365 | DOI Listing |
J Chem Phys
November 2018
School of Physics, Dalian University of Technology, Dalian 116024, China.
We derive a high-rank separable potential formula of the atom-atom interaction by using the two-body wave function in the coordinate space as inputs. This high-rank separable potential can be utilized to numerically solve the two-body Lippmann-Schwinger equation and three-body Faddeev equation. By analyzing the convenience and stability of numerical calculations for different kinds of the matrix forms of the Lippmann-Schwinger and Faddeev equations, we can find the optimal forms of the kernal matrices in the two- and three-body scattering equations.
View Article and Find Full Text PDFJ Chem Phys
April 2011
Department of Physics, University of Calcutta, 92 A.P.C. Road, Kolkata 700009, India.
A correlated many-body basis function is used to describe the (4)He trimer and small helium clusters ((4)He(N)) with N = 4-9. A realistic helium dimer potential is adopted. The ground state results of the (4)He dimer and trimer are in close agreement with earlier findings.
View Article and Find Full Text PDFJ Chem Phys
February 2011
Faculty of Science, University of Split, HR-21000 Split, Croatia.
We report results for the ground-state energy and structural properties of small (4)He-T↓ clusters consisting of up to four T↓ and eight (4)He atoms. These results have been obtained using very well-known (4)He-(4)He and T↓- T↓ interaction potentials and several models for the (4)He- T↓ interatomic potential. All the calculations have been performed with variational and diffusion Monte Carlo methods.
View Article and Find Full Text PDFJ Phys Chem A
March 2010
Department of Chemistry and CNISM, University of Rome La Sapienza, Piazzale A. Moro 5, 00185 Rome, Italy.
Small (4)He clusters doped with a single atomic impurity, (1)H, (2)H, and (3)H, have been studied via a quantum Monte Carlo approach with the intent of establishing their binding behavior in nanoscopic clusters. Our calculations find that the only trimer (x)H (He)(2), which exhibits a bound state, is that with the tritium dopant (x = 3), in agreement with previous calculations using hyperspherical coordinates in the adiabatic approximation. The lightest dopant (1)H is seen not to stabilize the small helium clusters, while (2)H and (3)H are weakly bound to this solvent: our computed exchange energies and probability distribution functions reveal the "heliophobic" nature of hydrogen, leading thus to a further confirmation, in the realm of nanoscopic-size systems like the helium droplets, of the well-known nonmixing and nonsolvating features of hydrogen in macroscopic liquid bulk helium.
View Article and Find Full Text PDFJ Phys Chem A
March 2006
Radiation Laboratory and Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556, USA.
The radiation chemical yields of the products derived from the triplet excited state produced in the radiolysis of liquid benzene with gamma-rays, 10 MeV 4He ions, and 10 MeV 12C ions have been determined. Iodine scavenging techniques have been used to examine the formation and role of radicals, especially the H atom and phenyl radical. For all irradiation types examined here, the increase in hydrogen iodide yields with increasing iodine concentration matches the increase in iodobenzene yields.
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