Published July 1996
| Version v1
Journal article
Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide
Creators
- 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