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Methylene excitation energies, transition probabilities, and frequency dependent polarizabilities

✍ Scribed by Jeffrey A. Nichols; Danny L. Yeager

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 851 KB
Volume: 84
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85373-0

No coin nor oath required. For personal study only.

✦ Synopsis

The electromc structure of the low-lymg valence states of the polyatomlc free radical methylene (CHz) is mvestigatcd at two different geometnes usmg multiconfigurational self-consstent field (MC SCF) and multiconfiitional random phase approxlmatlon (MC TDHF MC WA) techniques Osmllator strengths and polarizabilities of CH2 are also scamined with the MCTDHF MC RPA.

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