Published July 1996 | Version v1
Journal article

Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide

  • 1. Shonan Institute of Technology 1-25, Nishikaigan 1-Chome, Tsujido, Fujisawa, Kanagawa 251 (Japan)
  • 2. Chemistry Department, Marquette University, P.O. Box 1881, Milwaukee, Wisconsin 53201-1881 (United States)

Description

Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63±0.15 eV. Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86±0.14 eV, which is in agreement with the experimental value. To the authors close-quote knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated. copyright 1996 The American Physical Society

Additional details

Publishing Information

Journal Title
Physical Review. A
Journal Volume
54
Journal Issue
1
Journal Page Range
p. 964-966.
ISSN
1050-2947
CODEN
PLRAAN

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
27079381
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
AFFINITY; BINDING ENERGY; CHEMISTRY; DIFFUSION; HYDROXYL RADICALS; POSITRONIUM; POSITRONIUM COMPOUNDS
Descriptors DEC
ENERGY; RADICALS