Results 161 to 170 of about 43,563 (210)
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The Journal of Chemical Physics, 1972
A basis set of atomic orbitals that is very close to atomic Rydberg orbitals is used to calculate the Rydberg levels in diatomic CH. Good agreement is found with the experimental assignments, and bands at 81 006, 81 545, and 82 788 cm−1 are attributed to an nf series. An explanation is suggested for only two members of the np series being observed.
T. E. H. Walker, H. P. Kelly
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A basis set of atomic orbitals that is very close to atomic Rydberg orbitals is used to calculate the Rydberg levels in diatomic CH. Good agreement is found with the experimental assignments, and bands at 81 006, 81 545, and 82 788 cm−1 are attributed to an nf series. An explanation is suggested for only two members of the np series being observed.
T. E. H. Walker, H. P. Kelly
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Chemical Physics Letters, 1975
Abstract A survey of recent calculations involving the mixing of Rydberg and valence states in the spectra of molecular systems is undertaken. It is pointed out that when such states undergo curve crossings with one another, minimal energy splittings of 1.0–2.0 eV can occur at the respective 50-50 composition points.
Robert J. Buenker, Sigrid D. Peyerimhoff
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Abstract A survey of recent calculations involving the mixing of Rydberg and valence states in the spectra of molecular systems is undertaken. It is pointed out that when such states undergo curve crossings with one another, minimal energy splittings of 1.0–2.0 eV can occur at the respective 50-50 composition points.
Robert J. Buenker, Sigrid D. Peyerimhoff
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MOLECULES IN HIGH RYDBERG STATES
Annual Review of Physical Chemistry, 1997▪ Abstract The unusual properties of high molecular Rydberg states with principal quantum number [Formula: see text] have enabled the development of new research tools for the study of molecules and ions in the gas phase. These tools range from spectroscopic techniques such as zero kinetic energy (ZEKE) photoelectron spectroscopy and mass-analyzed ...
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Journal of Molecular Spectroscopy, 1987
Abstract The Rydberg states of benzene arising from excitations from the highest-occupied π orbital to s-, p-, and d-type orbitals are treated theoretically. All electrons are included and the calculated states satisfy the energy variational theorem. Calculations are essentially SCF calculations with the only multideterminant interactions being those
A. Chattopadhyay, J.L. Whitten
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Abstract The Rydberg states of benzene arising from excitations from the highest-occupied π orbital to s-, p-, and d-type orbitals are treated theoretically. All electrons are included and the calculated states satisfy the energy variational theorem. Calculations are essentially SCF calculations with the only multideterminant interactions being those
A. Chattopadhyay, J.L. Whitten
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Chemical Physics Letters, 1983
Abstract Ab initio frozen core CEPA calculations have been performed in order to predict vertical energy levels and disccosiation energies for the Rydberg states of H 4 up to n eff = 5. The electron correlation energies are analysed and discussed.
Martin Jungen, Volker Staemmler
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Abstract Ab initio frozen core CEPA calculations have been performed in order to predict vertical energy levels and disccosiation energies for the Rydberg states of H 4 up to n eff = 5. The electron correlation energies are analysed and discussed.
Martin Jungen, Volker Staemmler
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International Journal of Quantum Chemistry, 1981
AbstractThe excited states of molecules can be divided into three categories: valence‐shell, Rydberg, and intermediate. Reasons are given why this classification is important for photochemistry. The photolytic primary steps should be different for excited states falling into these different categories.
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AbstractThe excited states of molecules can be divided into three categories: valence‐shell, Rydberg, and intermediate. Reasons are given why this classification is important for photochemistry. The photolytic primary steps should be different for excited states falling into these different categories.
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The Journal of Chemical Physics, 1979
Herzberg6 has recently observed very highly excited states of H3 in the emission from a hollow cathode discharge through H2. The emission bands were assigned to Rydberg transitions. Calculations are reported to interpret these transitions. (AIP)
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Herzberg6 has recently observed very highly excited states of H3 in the emission from a hollow cathode discharge through H2. The emission bands were assigned to Rydberg transitions. Calculations are reported to interpret these transitions. (AIP)
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Rydberg states of the Kr2 molecule
The Journal of Chemical Physics, 1992Spectra attributed to transitions from the 5sσ a 3Σu+ metastable state of Kr2 to excited Rydberg states have been observed by intracavity and multipass absorption and by laser excitation spectroscopy. Four distinct Rydberg series converging on the X 2Σu+ core of Kr2+ have been identified.
D. J. Kane +5 more
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Photodissociation Dynamics of Diacetylene Rydberg States
The Journal of Physical Chemistry A, 2015The state-selective photodissociation of diacetylene (C4H2) was studied in the wavelength range of 127.5-164.4 nm by high-resolution Rydberg H atom time-of-flight spectroscopy measurements. In the wavelength region, two Rydberg series nR and nR' were state-selectively excited using tunable vacuum-ultraviolet laser radiation.
Hongzhen, Wang +5 more
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Low-Lying Rydberg States of HCl
The Journal of Physical Chemistry A, 2008Vertical excitation energies belonging to some different Rydberg series of hydrogen chloride have been determined with a coupled-cluster theoretical approach. These excitation energies have allowed us to calculate electric dipole transition intensities in HCl and allow additional assessment of the calculation approach presently used to provide an ...
J, Pitarch-Ruiz +5 more
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