Publication
Title
Pair potential of liquid metallic Be from electron theory compared and contrasted with recent ab initio work on the free-space beryllium dimer
Author
Abstract
Two decades ago, Perrot and March [F. Perrot and N.H. March, Phys. Rev. A. 41, 4521 (1990)] used electron theory to derive an oscillatory pair potential between the beryllium nuclei in liquid metal beryllium. They predict a first minimum at 2.1 angstrom, followed by a larger repulsive hump at 2.8 angstrom. Here, we compare and contrast this result for liquid beryllium with the recent ab initio work by Koput and the present quantum Monte Carlo (QMC) calculation on the beryllium dimer in free space. Koput situates the minimum in the potential curve for the free-space dimer at 2.4 angstrom and it is quite similar in depth to that for liquid metallic beryllium. Our QMC curve is similar, with the minimum at 2.33 angstrom. They are tabulated in this letter.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2012
ISSN
0031-9104
Volume/pages
50:3(2012), p. 399-402
ISI
000304271500011
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.07.2012
Last edited 12.05.2017
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