# Diffusion quantum Monte Carlo calculation of positronium affinity of lithium

## Related Articles

- Classical Monte Carlo simulations of relaxed trapping site structures in Li atom doped solid Ne. Fajardo, Mario E. // Journal of Chemical Physics;1/1/1993, Vol. 98 Issue 1, p119
Results of classical Monte Carlo simulations of Li atom doped fcc Ne solids are presented. Li atom trapping sites based on four-atom and six-atom vacancies required only minor relaxation of the matrix surroundings to reach equilibrium. Trapping sites based on one-atom and two-atom vacancies were...

- Positronium chemistry by quantum Monte Carlo. I. Positronium-first row atom complexes. Bressanini, Dario; Mella, Massimo // Journal of Chemical Physics;3/22/1998, Vol. 108 Issue 12, p4756
Examines the stability of the ground and excited states of Positronium-atom complexes. Application of the diffusion Monte Carlo method; Calculation of positron affinity and positronium binding energy; Correlation between electrons and the positron.

- Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density. Toulouse, Julien; Assaraf, Roland; Umrigar, C. J. // Journal of Chemical Physics;6/28/2007, Vol. 126 Issue 24, p244112
We construct improved quantum Monte Carlo estimators for the spherically and system-averaged electron pair density (i.e., the probability density of finding two electrons separated by a relative distance u), also known as the spherically averaged electron position intracule density I(u), using...

- On the influence of electron mobilities on the yields of formation of positronium in liquids.... Billard, Isabelle; Goulet, Thomas // Journal of Chemical Physics;2/8/1998, Vol. 108 Issue 6, p2408
Examines the formation of positronium at the end of the radiation tracks generated by the passage energetic positrons in various liquids. Influence of thermal electron mobility on positronium formation; Use of Monte Carlo simulation technique to evaluate the physicochemical properties of...

- Response to "Comment on 'Positron and positronium chemistry by quantum Monte Carlo. IV. Can this method accurately compute observables beyond energy?' " [J. Chem. Phys. 111, 108 (1999)]. Mella, Massimo; Morosi, Gabriele; Bressanini, Dario // Journal of Chemical Physics;2/22/2000, Vol. 112 Issue 8
We discuss the accuracy and applicability to molecular systems of the model proposed by G. G. Ryzhikh and J. Mitroy [J. Phys. B 31, 5013 (1998), ibid. 32, 2203 (1999)] to compute annihilation rate in positron-containing systems. Moreover, we propose small modifications to this model in order to...

- A two-chain path integral model of positronium. Larrimore, L.; McFarland, R. N.; Sterne, P. A.; Bug, Amy L. R. // Journal of Chemical Physics;12/15/2000, Vol. 113 Issue 23
We have used a path integral Monte Carlo technique to simulate positronium (Ps) in a cavity. The primitive propagator is used, with a pair of interacting chains representing the positron and electron. We calculate the energy and radial distribution function for Ps enclosed in a hard, spherical...

- Kinetic Monte Carlo simulations of nucleation on a surface with periodic strain: Spatial ordering... Mattsson, Thomas R.; Metiu, Horia // Applied Physics Letters;8/16/1999, Vol. 75 Issue 7, p926
Studies nucleation of adsorbate islands on a solid surface on which a periodic strain field has been imposed, using kinetic Monte Carlo simulations. Finding that, in spite of its very small effect on the diffusion constant of the atoms, the field orders the ensemble of islands; How better...

- An experimental study of the in-plane distribution of atoms in the liquidâ€“vapor interface of mercury. Thomas, Britt N.; Barton, Scott W.; Novak, Frank; Rice, Stuart A. // Journal of Chemical Physics;1/15/1987, Vol. 86 Issue 2, p1036
We report measurements of the in-plane (transverse) structure function, S||(k), of the liquidâ€“vapor interface of Hg at 298 K, obtained using the method of grazing incidence x-ray diffraction. Our results show that: (i) The transverse structure function of the liquidâ€“vapor interface...

- Path integral Monte Carlo study of SF6-doped helium clusters. Kwon, Yongkyung; Ceperley, David M.; Whaley, K. Birgitta // Journal of Chemical Physics;2/8/1996, Vol. 104 Issue 6, p2341
The path-integral Monte Carlo technique is applied to study the SF6He39 cluster at low temperatures. The method employs as input only pair potentials, the number of atoms, and the temperature, and is thus independent of the trial function bias which can affect calculation of structural...