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Extended Hückel method

Known as: Extended Huckel theory, Hückel, Extended huckel method 
The extended Hückel method is a semiempirical quantum chemistry method, developed by Roald Hoffmann since 1963. It is based on the Hückel method but… 
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Related topics

Related topics

8 relations
Ab initio quantum chemistry methodsCNDO/2Computational chemistryHückel method

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
The Green’s function for the Hückel (tight binding) model
Applications of the Huckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix… 
Highly Cited
2013
Highly Cited
2013
Effect of Ion–Ion Correlations on Polyelectrolyte Gel Collapse and Reentrant Swelling
Polyelectrolyte gels are known to exhibit strong response to changes in salt concentration, an effect attributed to osmotic… 
Highly Cited
2010
Highly Cited
2010
Semiempirical model for nanoscale device simulations
We present a semiempirical model for calculating electron transport in atomic-scale devices. The model is an extension of the… 
2008
2008
Electrical transport in a two-dimensional electron and hole gas on a Si(001)-(2 X 1) surface
$\text{Si}(001)\text{\ensuremath{-}}(2\ifmmode\times\else\texttimes\fi{}1)$ surface is one of the many two-dimensional systems of… 
2008
2008
Optical properties of supercrystals
2008
2008
Efficient wave-function matching approach for quantum transport calculations
The wave-function matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two… 
2005
2005
Adsorption of CO on PtBi2 and PtBi surfaces
2002
2002
Experimental and theoretical STM imaging of xylene isomers on Pd(111)
We have performed a theoretical and experimental study of the three isomers of xylene, C 6 H 4 (CH 3 ) 2 , adsorbed on Pd(111… 
Highly Cited
1964
Highly Cited
1964
Extended Hückel Theory. IV. Carbonium Ions
The conformations, relative stabilities, and electronic distribution of a sample of the more important carbonium ions and… 
Highly Cited
1964
Highly Cited
1964
Extended Hückel Theory. III. Compounds of Boron and Nitrogen
The extended Huckel theory is applied to compounds of boron and nitrogen, with emphasis placed upon similarities and differences… 
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