Potential for a novel mu SR experiment: The results of an ab initio study

M I J  Probert; A J  Fisher

Potential for a novel mu SR experiment: The results of an ab initio study

Physics

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

Abstract

Predicted results for a novel muon spectroscopy experiment are described. The results come from ab initio density functional theory calculations of benzene and muonium, using the Projector Augmented Wave technique. The stable binding site for the muonium is evaluated from a total energy minimisation calculation. At this site the associated (bond stretching) vibrational frequency, Einstein coefficients and the isotropic hyperfine parameter are then calculated. It is found that the hyperfine parameter depends on the vibrational state, and so optical excitation of such states should now be detectable. This therefore opens up the possibility of muon vibrational spectroscopy.

Original language	English
Pages (from-to)	271-275
Number of pages	5
Journal	Chemical Physics Letters
Volume	259
Issue number	3-4
Publication status	Published - 6 Sept 1996

Keywords

MOLECULAR-DYNAMICS
SEMICONDUCTORS
SIMULATIONS

Cite this

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abstract = "Predicted results for a novel muon spectroscopy experiment are described. The results come from ab initio density functional theory calculations of benzene and muonium, using the Projector Augmented Wave technique. The stable binding site for the muonium is evaluated from a total energy minimisation calculation. At this site the associated (bond stretching) vibrational frequency, Einstein coefficients and the isotropic hyperfine parameter are then calculated. It is found that the hyperfine parameter depends on the vibrational state, and so optical excitation of such states should now be detectable. This therefore opens up the possibility of muon vibrational spectroscopy.",

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AU - Fisher, A J

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N2 - Predicted results for a novel muon spectroscopy experiment are described. The results come from ab initio density functional theory calculations of benzene and muonium, using the Projector Augmented Wave technique. The stable binding site for the muonium is evaluated from a total energy minimisation calculation. At this site the associated (bond stretching) vibrational frequency, Einstein coefficients and the isotropic hyperfine parameter are then calculated. It is found that the hyperfine parameter depends on the vibrational state, and so optical excitation of such states should now be detectable. This therefore opens up the possibility of muon vibrational spectroscopy.

AB - Predicted results for a novel muon spectroscopy experiment are described. The results come from ab initio density functional theory calculations of benzene and muonium, using the Projector Augmented Wave technique. The stable binding site for the muonium is evaluated from a total energy minimisation calculation. At this site the associated (bond stretching) vibrational frequency, Einstein coefficients and the isotropic hyperfine parameter are then calculated. It is found that the hyperfine parameter depends on the vibrational state, and so optical excitation of such states should now be detectable. This therefore opens up the possibility of muon vibrational spectroscopy.

KW - MOLECULAR-DYNAMICS

KW - SEMICONDUCTORS

KW - SIMULATIONS

M3 - Article

SN - 0009-2614

VL - 259

SP - 271

EP - 275

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

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