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Molecular spectra and the generator coordinate method

✍ Scribed by L. Lathouwers; P. Van Leuven

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 283 KB
Volume: 14
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560140830

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📜 SIMILAR VOLUMES

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Non-adiabatic effects in the generator coordinate theory of molecular spectra

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The generator coordinate trial function is written as the adiabatic, product-type state plus a non-adiabatic contribution. Equating the resulting energy shift with the magnitude of non-adiabatic corrections gives an estimate of the width of nuclear basis states. A test calculation for a molecule-lik

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