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Ab initio MRD-CI calculations of the electronic structure and hydrogen-bond energy of ClHBr−

✍ Scribed by A.B. Sannigrahi; S.D. Peyerimhoff

Book ID: 113257058
Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 749 KB
Volume: 209
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(90)85041-k

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## Abstract __Ab initio__ CI calculations using pseudopotentials to describe germanium inner electrons are carried out on the low‐lying excited singlet states (__T__~2~) of GeH~4~. A theoretical analysis of these states in terms of Mulliken population of Rydberg orbitals for each state and oscillat