Nonempirical Calculations on Excited States: The Formaldehyde Molecule

Thomas H. Dunning; Vincent McKoy

doi:10.1063/1.1668203

Nonempirical Calculations on Excited States: The Formaldehyde Molecule

The Journal of Chemical Physics ◽

10.1063/1.1668203 ◽

1968 ◽

Vol 48 (11) ◽

pp. 5263-5270 ◽

Cited By ~ 114

Author(s):

Thomas H. Dunning ◽

Vincent McKoy

Keyword(s):

Excited States ◽

Nonempirical Calculations ◽

Formaldehyde Molecule

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Macroscopic solvent polarization-induced reorganization of the electron density in different excited states: A study on formaldehyde molecule by a multiconfiguration self-consistent reaction-field method

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)70:3<415::aid-qua1>3.0.co;2-x ◽

1998 ◽

Vol 70 (3) ◽

pp. 415-428

Author(s):

Chitrani Medhi ◽

S. P. Bhattacharyya

Keyword(s):

Electron Density ◽

Excited States ◽

Field Method ◽

Reaction Field ◽

Self Consistent ◽

Formaldehyde Molecule ◽

Solvent Polarization

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Study of ground state and some low-lying excited states of formaldehyde molecule by CNDO/VN?1 method

Soviet Physics Journal ◽

10.1007/bf00936679 ◽

1978 ◽

Vol 21 (6) ◽

pp. 726-730

Author(s):

E. I. Cheglokov ◽

A. F. Terpugova ◽

B. F. Samsonov ◽

V. A. Kilin

Keyword(s):

Excited States ◽

Ground State ◽

Formaldehyde Molecule

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Nonempirical Calculations on Excited States: The Ethylene Molecule

The Journal of Chemical Physics ◽

10.1063/1.1712158 ◽

1967 ◽

Vol 47 (5) ◽

pp. 1735-1747 ◽

Cited By ~ 242

Author(s):

Thom. H. Dunning ◽

Vincent McKoy

Keyword(s):

Excited States ◽

Ethylene Molecule ◽

Nonempirical Calculations

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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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