An Excition Approach to the Excited States of Two Electron Atoms. I. Formalism and Interpretation

1985 ◽  
Vol 38 (1) ◽  
pp. 1 ◽  
Author(s):  
PE Schipper
Keyword(s):  
Electronic Properties ◽  
Excited States ◽  
Electron Pair ◽  
Atomic Electron ◽  
Exciton Model

The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair.

Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)3 complex

2006 ◽  
Vol 28 (6-7) ◽  
pp. 714-717 ◽  
Author(s):  
M. Ottonelli ◽  
G.M.M. Izzo ◽  
G.F. Musso ◽  
G. Dellepiane ◽  
R. Tubino
Keyword(s):  
Electronic Properties ◽  
Excited States

An Exciton Approach to the Excited States of Two Electron Atoms. II. Determination of Spectroscopic Parameters, Polarizabilities and Dispersion Coefficients of H-, He, Li+, Be2+ and Ne8+

1985 ◽  
Vol 38 (1) ◽  
pp. 11
Author(s):  
PE Schipper ◽  
B Martire
Keyword(s):  
Excited States ◽  
Ground State ◽  
Wave Functions ◽  
Oscillator Strengths ◽  
Exciton Model ◽  
Interaction Coefficients ◽  
Isoelectronic Series ◽  
Helium Isoelectronic Series ◽  
Good Agreement

The exciton model developed in an earlier paper is applied quantitatively to a description of the excited states of representative members of the helium isoelectronic series; viz. H-, He, Li+,Be2+ and Ne8+. The energies of the eight lowest excited states are in good agreement with experiment, for a relatively small (1s-4p) hydrogenic basis; the ground state is obtained with slightly less precision. Response properties including oscillator strengths, polarizabilities and dispersion interaction coefficients are also calculated. The method appears to be quantitatively sound, and, above all, leads to particularly simple interpretations of the wave functions and the energies.

Electronic properties of an organometallic d 0 precatalyst in the ground and excited states

2007 ◽  
Vol 417 (1) ◽  
pp. 293-296 ◽  
Author(s):  
G. V. Loukova ◽  
A. A. Milov ◽  
V. P. Vasiliev ◽  
V. A. Smirnov
Keyword(s):  
Electronic Properties ◽  
Excited States

The Atomic Exciton Model for the Excited States of p-Electron Systems

1985 ◽  
Vol 38 (10) ◽  
pp. 1529
Author(s):  
PE Schipper
Keyword(s):  
Excited States ◽  
Ground State ◽  
Valence Bond ◽  
Essential Difference ◽  
Electron Systems ◽  
Exciton Model ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Atomic Excitations ◽  
Insight Into

A new model is presented to describe the π-π* excitations of π-electron systems in terms of intra-atomic excitations. The atomic exciton model combines features of conventional exciton and valence bond theory, reducing to the former in the non-exchanging limit, and the latter in the ground-state limit with covalent structures. The model is ideally suited to the approximate or exact incorporation of exchange, and highlights the opposition of excitation and electron interchange in determining the energetics of the excitation manifold, eliciting thereby the essential difference between ground and excited states. Applications to some simple π-systems are considered, providing new insight into their excited states.

Ultrafast structural dynamics of photoexcited adenine

2017 ◽  
Vol 19 (30) ◽  
pp. 20224-20240 ◽  
Author(s):  
Sayan Mondal ◽  
Mrinalini Puranik
Keyword(s):  
Electronic Properties ◽  
Excited States ◽  
Structural Dynamics ◽  
Resonance Raman ◽  
Ultraviolet Resonance Raman

Ultraviolet Resonance Raman (UVRR) spectroscopy derives distinct electronic properties of adenine in the La (260 nm) and Bb (210 nm) excited states.

scholarly journals Unveiling the role of the lone electron pair in sesquioxides at high pressure: Compressibility of β-Sb2O3

2021 ◽  
Author(s):  
Juan Ángel Sans ◽  
Francisco Javier Manjón ◽  
André Pereira ◽  
Javier Ruiz-Fuertes ◽  
Catalin Popescu ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Lone Electron Pair ◽  
Electron Pair ◽  
Theoretical Study

The structural, vibrational and electronic properties of the compressed β-Sb2O3 polymorph, a.k.a. mineral valentinite, have been investigated in a joint experimental and theoretical study up to 23 GPa. The compressibility...

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