Estimation of Lamb-shift effects for molecules: Application to the rotation-vibration spectra of water

被引：77

作者：

Pyykkö, Pekka ^{[1
]}

Dyall, Kenneth G. ^{[2
]}

Csaászaár, Attila G. ^{[3
]}

Tarczay, György ^{[3
]}

Polyansky, Oleg L. ^{[4
,5
]}

Tennyson, Jonathan ^{[4
]}

机构：

[1] Department of Chemistry, University of Helsinki, P. O. Box 55, FIN-00014 Helsinki, Finland

[2] Eloret Corporation, 690 West Fremont Avenue, Sunnyvale, CA 94087, United States

[3] Department of Theoretical Chemistry, Eötvös University, P. O. Box 32, H-1518 Budapest 112, Hungary

[4] Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom

[5] Institute of Applied Physics, Russian Academy of Science, Ulyanov Street 46, Nizhnii Novgorod, 603024, Russia

来源：

| 2001年 / American Inst of Physics, Woodbury卷 / 63期

关键词：

Approximation theory - Electrodynamics - Electron energy levels - Molecular vibrations - Water;

D O I：

10.1103/PhysRevA.63.024502

中图分类号：

学科分类号：

摘要：

An approach for approximating Lamb shifts, the leading quantum electrodynamical (QED) effect, in light molecules is presented. The scaled molecular energies were employed for the evaluation of lamb shift as a function of geometry. Results show QED effects on the rovibrational states of water to be larger than present experimental uncertainties, and one order of magnitude smaller than current computational uncertainties.

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