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Extended Hückel method
Known as:
Extended Huckel theory
, Hückel
, Extended huckel method
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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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8 relations
Ab initio quantum chemistry methods
CNDO/2
Computational chemistry
Hückel method
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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
R. Movassagh
,
G. Strang
,
Yuta Tsuji
,
R. Hoffmann
2014
Corpus ID: 54738586
Applications of the Huckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix…
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Highly Cited
2013
Highly Cited
2013
Effect of Ion–Ion Correlations on Polyelectrolyte Gel Collapse and Reentrant Swelling
C. Sing
,
J. Zwanikken
,
M. O. D. L. Cruz
2013
Corpus ID: 102293807
Polyelectrolyte gels are known to exhibit strong response to changes in salt concentration, an effect attributed to osmotic…
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Highly Cited
2010
Highly Cited
2010
Semiempirical model for nanoscale device simulations
K. Stokbro
,
D. Petersen
,
S. Smidstrup
,
A. Blom
,
M. Ipsen
,
K. Kaasbjerg
2010
Corpus ID: 33937053
We present a semiempirical model for calculating electron transport in atomic-scale devices. The model is an extension of the…
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2008
2008
Electrical transport in a two-dimensional electron and hole gas on a Si(001)-(2 X 1) surface
H. Raza
,
T. Raza
,
E. Kan
2008
Corpus ID: 119180709
$\text{Si}(001)\text{\ensuremath{-}}(2\ifmmode\times\else\texttimes\fi{}1)$ surface is one of the many two-dimensional systems of…
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2008
2008
Optical properties of supercrystals
J. Nossa
,
Á. Camacho
Microelectronics Journal
2008
Corpus ID: 9286725
2008
2008
Efficient wave-function matching approach for quantum transport calculations
H. H. Sørensen
,
P. Hansen
,
D. Petersen
,
S. Skelboe
,
K. Stokbro
2008
Corpus ID: 38194050
The wave-function matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two…
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2005
2005
Adsorption of CO on PtBi2 and PtBi surfaces
Melania Oana
,
R. Hoffmann
,
H. Abruña
,
F. Disalvo
2005
Corpus ID: 54997351
2002
2002
Experimental and theoretical STM imaging of xylene isomers on Pd(111)
D. Futaba
,
J. Landry
,
A. Loui
,
S. Chiang
2002
Corpus ID: 36608308
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…
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Highly Cited
1964
Highly Cited
1964
Extended Hückel Theory. IV. Carbonium Ions
R. Hoffmann
1964
Corpus ID: 11765924
The conformations, relative stabilities, and electronic distribution of a sample of the more important carbonium ions and…
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Highly Cited
1964
Highly Cited
1964
Extended Hückel Theory. III. Compounds of Boron and Nitrogen
R. Hoffmann
1964
Corpus ID: 59420532
The extended Huckel theory is applied to compounds of boron and nitrogen, with emphasis placed upon similarities and differences…
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