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231222s2002 xx ||||| 00| ||eng c |
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|a pubmed24n0394.xml
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|a (DE-627)NLM11806892X
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|a (NLM)11924744
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Ikegami, Tsutomu
|e verfasserin
|4 aut
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|a Spectral density calculation by using the Chebyshev expansion
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|c 2002
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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| 338 |
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 17.07.2003
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|a Date Revised 03.11.2003
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a A method to calculate the spectral density of any state vectors with respect to a set of eigenstates of a Hamiltonian is presented. A spectral density operator, whose expectation value on the state vector gives the spectral density, is evaluated indirectly by using the Chebyshev expansion method. A spectral transformation function is introduced to improve resolution at the low energy region, at the expense of the one at the higher region. The predissociation spectrum of CO+ is calculated to demonstrate the method
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|a Journal Article
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|a Iwata, Suehiro
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 23(2002), 2 vom: 30. Jan., Seite 310-8
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
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|g volume:23
|g year:2002
|g number:2
|g day:30
|g month:01
|g pages:310-8
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|a GBV_ILN_350
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|a AR
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|d 23
|j 2002
|e 2
|b 30
|c 01
|h 310-8
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