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Ab initio investigation of the vertical and adiabatic excitation spectrum of NO[sub 3]

✍ Scribed by Eisfeld, Wolfgang; Morokuma, Keiji


Book ID
115514108
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
467 KB
Volume
114
Category
Article
ISSN
0021-9606

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Ab initio investigation of the ground st
✍ Jean-Michel Robbe; Mohamed Bencheikh; Jean-Pierre Flament πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 392 KB

New experiments based on resonant multiphoton ionization spectroscopy have allowed the observation of Ar-NO and Ar-NO+ ground states. We present a new theoretical method, using a CIPSI approach, to calculate the ground state potential surfaces of X-NO+ complexes (X=He, Ar), which gives results in go