The binding energies of small Be clusters

R. J. Harrison; N. C. Handy

doi:10.1016/0009-2614(86)80080-X

The binding energies of small Be clusters

R. J. Harrison
, N. C. Handy

Applied Mathematics and Statistics

University of Cambridge

Research output: Contribution to journal › Article › peer-review

61 Scopus citations

Abstract

The recent success of ab initio calculations in predicting the existence of several vibrational states of Be₂ ≈X¹Σ⁺_g (now experimentally verified) shows that it is necessary to perform highly accurate calculations on small Be clusters for results to be reliable. We report the results of such calculations on Be₃ and Be₄ which we estimate to have binding energies of 24 and 75 kcal mole, respectively.

Original language	English
Pages (from-to)	321-326
Number of pages	6
Journal	Chemical Physics Letters
Volume	123
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(86)80080-X
State	Published - Jan 17 1986

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title = "The binding energies of small Be clusters",

abstract = "The recent success of ab initio calculations in predicting the existence of several vibrational states of Be2 ≈X1Σ+g (now experimentally verified) shows that it is necessary to perform highly accurate calculations on small Be clusters for results to be reliable. We report the results of such calculations on Be3 and Be4 which we estimate to have binding energies of 24 and 75 kcal mole, respectively.",

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AU - Handy, N. C.

PY - 1986/1/17

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N2 - The recent success of ab initio calculations in predicting the existence of several vibrational states of Be2 ≈X1Σ+g (now experimentally verified) shows that it is necessary to perform highly accurate calculations on small Be clusters for results to be reliable. We report the results of such calculations on Be3 and Be4 which we estimate to have binding energies of 24 and 75 kcal mole, respectively.

AB - The recent success of ab initio calculations in predicting the existence of several vibrational states of Be2 ≈X1Σ+g (now experimentally verified) shows that it is necessary to perform highly accurate calculations on small Be clusters for results to be reliable. We report the results of such calculations on Be3 and Be4 which we estimate to have binding energies of 24 and 75 kcal mole, respectively.

UR - https://www.scopus.com/pages/publications/0000149404

U2 - 10.1016/0009-2614(86)80080-X

DO - 10.1016/0009-2614(86)80080-X

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AN - SCOPUS:0000149404

SN - 0009-2614

VL - 123

SP - 321

EP - 326

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -

The binding energies of small Be clusters

Abstract

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