Lie algebraic approach to valence bond theory of π-electron systems: a preliminary study of excited states

1992 ◽  
Author(s):  
J. Paldus ◽  
X. Li
Keyword(s):  
Excited States ◽  
Valence Bond ◽  
Algebraic Approach ◽  
Electron Systems ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Preliminary Study

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.

scholarly journals The electronic structure of carbones revealed: insights from valence bond theory

2021 ◽  
Vol 23 (5) ◽  
pp. 3327-3334
Author(s):  
Remco W. A. Havenith ◽  
Ana V. Cunha ◽  
Johannes E. M. N. Klein ◽  
Francesca Perolari ◽  
Xintao Feng
Keyword(s):  
Electronic Structure ◽  
Valence Bond ◽  
Carbon Suboxide ◽  
Valence Bond Theory ◽  
Bond Theory

Valence bond theory reveals the nature of the OC–C bond in carbon suboxide and related allene compounds.

ChemInform Abstract: Study of the Electronic States of the Benzene Molecule Using Spin- Coupled Valence Bond Theory.

ChemInform ◽  
2010 ◽  
Vol 26 (7) ◽  
pp. no-no
Author(s):  
E. C. DA SILVA ◽  
J. GERRATT ◽  
D. L. COOPER ◽  
M. RAIMONDI
Keyword(s):  
Valence Bond ◽  
Electronic States ◽  
Benzene Molecule ◽  
Valence Bond Theory ◽  
Bond Theory
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