Relativistic and quantum electrodynamics effects in the helium pair potential.

The helium pair potential was computed including relativistic and quantum electrodynamics contributions as well as improved accuracy adiabatic ones. Accurate asymptotic expansions were used for large distances R. Error estimates show that the present potential is more accurate than any published to date. The computed dissociation energy and the average R for the (4)He(2) bound state are 1.62+/-0.03 mK and 47.1+/-0.5 A. These values can be compared with the measured ones: 1.1(-0.2)(+0.3) mK and 52+/-4 A [R. E. Grisenti, Phys. Rev. Lett. 85, 2284 (2000)].

[1]  M. Boninsegni,et al.  Ab initio potentials and the equation of state of condensed helium at high pressure , 2001 .

[2]  Goyal,et al.  Vibrational spectroscopy of sulfur hexafluoride attached to helium clusters. , 1992, Physical review letters.

[3]  R. Hellmann,et al.  Ab initio potential energy curve for the helium atom pair and thermophysical properties of dilute helium gas. I. Helium–helium interatomic potential , 2007 .

[4]  B. Jeziorski,et al.  Bounds for the scattering length of spin-polarized helium from high-accuracy electronic structure calculations. , 2005, The Journal of chemical physics.

[5]  J. Komasa,et al.  Radiative correction to the helium dimer interaction energy. , 2006, The Journal of chemical physics.

[6]  J. Mehl.  Ab initio properties of gaseous helium , 2009 .

[7]  J. Komasa,et al.  Nonadiabatic corrections to rovibrational levels of H2. , 2008, The Journal of chemical physics.

[8]  J. Olsen,et al.  Basis-set convergence of the two-electron Darwin term , 2000 .

[9]  W. Cencek,et al.  On the acceleration of the convergence of singular operators in Gaussian basis sets. , 2005, The Journal of chemical physics.

[10]  K. Szalewicz,et al.  Relativistic correction to the helium dimer interaction energy. , 2005, Physical review letters.

[11]  G. Drake.  High precision variational calculations for the 1s21S state of H − and the 1s21s, 1s2s 1s and 1s2s 3s states of helium , 1988 .

[12]  G. C. McBane,et al.  Influence of retardation on the vibrational wave function and binding energy of the helium dimer , 1993 .

[13]  Jacek Komasa,et al.  Theoretical Determination of the Dissociation Energy of Molecular Hydrogen. , 2009, Journal of chemical theory and computation.

[14]  G. Łach,et al.  Long-range relativistic interactions in the Cowan-Griffin approximation and their QED retardation: Application to helium, calcium, and cadmium dimers , 2003 .

[15]  Hartmann,et al.  Rotationally Resolved Spectroscopy of SF6 in Liquid Helium Clusters: A Molecular Probe of Cluster Temperature. , 1995, Physical review letters.

[16]  K. Tang,et al.  An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients , 1984 .

[17]  Kohler,et al.  Determination of the bond length and binding energy of the helium dimer by diffraction from a transmission grating , 2000, Physical review letters.

[18]  J. Sucher.  Energy Levels of the Two-Electron Atom to Order α 3 ry; Ionization Energy of Helium , 1958 .

[19]  J. Rychlewski,et al.  Adiabatic corrections of the helium dimer from exponentially correlated Gaussian functions , 1999 .

[20]  B. Jeziorski,et al.  Higher dispersion coefficients for the interaction of helium atoms , 2008 .

[21]  Wojciech Cencek,et al.  Ultra‐high accuracy calculations for hydrogen molecule and helium dimer , 2008 .

[22]  J. Hirschfelder,et al.  Long‐Range (Retarded) Intermolecular Forces , 1966 .

[23]  K. Szalewicz,et al.  Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data. , 2007, The Journal of chemical physics.

[24]  J. Komasa,et al.  Relativistic and QED corrections for the beryllium atom. , 2004, Physical review letters.

[25]  M. Moldover,et al.  Acoustic thermometry: new results from 273 K to 77 K and progress towards 4 K , 2006 .

[26]  H. Casimir,et al.  The Influence of Retardation on the London-van der Waals Forces , 1948 .