A study of the ground and excited states of Al3 and Al3−. I. 488 nm anion photoelectron spectrum

A K−2V photoelectron spectrum of the CO molecule, showing several core-ionized core-excited states, has been recorded and the different spectral features have been interpreted in terms of their direct or conjugate nature.

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Theoretical study of the photoelectron spectrum of NO3 and the excited states of NO3+. I. Electronic spectrum

The Journal of Chemical Physics ◽

10.1063/1.1493768 ◽

2002 ◽

Vol 117 (9) ◽

pp. 4361-4370 ◽

Cited By ~ 6

Author(s):

Wolfgang Eisfeld ◽

Keiji Morokuma

Keyword(s):

Electronic Spectrum ◽

Excited States ◽

Photoelectron Spectrum ◽

Theoretical Study

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A study of the ground and excited states of Al3 and Al3−. II. Computational analysis of the 488nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy

The Journal of Chemical Physics ◽

10.1063/1.3008056 ◽

2009 ◽

Vol 130 (2) ◽

pp. 024304 ◽

Cited By ~ 34

Author(s):

Stephen R. Miller ◽

Nathan E. Schultz ◽

Donald G. Truhlar ◽

Doreen G. Leopold

Keyword(s):

Excited States ◽

Bond Dissociation Energy ◽

Dissociation Energy ◽

Photoelectron Spectrum ◽

Computational Analysis ◽

Bond Dissociation

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Ab initio CI Study of the Ground and Excited States of CuF2 and CuCl2

Zeitschrift für Naturforschung A ◽

10.1515/zna-1984-0210 ◽

1984 ◽

Vol 39 (2) ◽

pp. 175-178 ◽

Cited By ~ 2

Author(s):

Tae-Kyu Ha ◽

Minh Tho Nguyen

Keyword(s):

Ab Initio ◽

Excited States ◽

Configuration Interaction ◽

Photoelectron Spectrum ◽

Ionization Potentials ◽

Uv Spectrum ◽

Electronically Excited ◽

Experimental Values ◽

Ci Calculations

Ab initio configuration interaction (CI) calculations of the ground, electronically excited and the ionized states (cations) are reported for CuF2 and CuCl2. The calculated results are compared with available experimental values of the UV spectrum of CuCl2 and the ionization potentials obtained from the photoelectron spectrum of CuF2.

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Vuv Spectra Y to Mo

International Astronomical Union Colloquium ◽

10.1017/s0252921100107808 ◽

1988 ◽

Vol 102 ◽

pp. 239

Author(s):

M.S.Z. Chaghtai

Keyword(s):

Excited States ◽

Spectral Analyses ◽

Vuv Spectra

Using R.D. Cowan’s computations (1979) and parametric calculations of Meinders et al (1982), old analyses are thoroughly revised and extended at Aligarh, of Zr III by Khan et al (1981), of Nb IV by Shujauddin et Chaghtai (1985), of Mo V by Tauheed at al (1985). Cabeza et al (1986) confirmed the last one largely.Extensive studies have been reported of the 1–e spectra, Zr IV (Rahimullah et al 1980; Acquista and Reader 1980), Nb V (Shujauddin et al 1982; Kagan et al 1981) and Mo VI (Edlén et al 1985). Some interacting 4p54d2levels of these spectra have been reported from our laboratory, also.Detailed spectral analyses of transitions between excited states have furnished complete energy values for J ≠ 1 levels of these spectra during 1970s and 80s. Shujauddin et al (1982) have worked out Nb VI and Tauheed et al (1984) Mo VII from our lab, while Khan et al (1981) share the work on Zr V with Reader and Acquista (1979).

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