Basis set

Known as: Basis sets used in computational chemistry, Polarization function 
A basis set in theoretical and computational chemistry is a set of functions (called basis functions) which are combined in linear combinations… (More)
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Topic mentions per year

Topic mentions per year

1950-2017
05010019502016

Papers overview

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2010
2010
  • Jacob Beal
  • 2010 Fourth IEEE International Conference on Self…
  • 2010
Although many different models of spatial computation have been proposed, no unifying theory of computation over continuous space… (More)
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Highly Cited
2009
Highly Cited
2009
Sparse coding---that is, modelling data vectors as sparse linear combinations of basis elements---is widely used in machine… (More)
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Highly Cited
2008
Highly Cited
2008
Recently, the problem of signal representation in terms of basis vectors from a large, ”overcomplete”, spanning dictionary has… (More)
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Highly Cited
2007
Highly Cited
2007
Basis sets are some of the most important input data for computational models in the chemistry, materials, biology, and other… (More)
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Highly Cited
2007
Highly Cited
2007
The S-transform is a time-frequency representation known for its local spectral phase properties. A key feature of the S… (More)
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Highly Cited
2001
Highly Cited
2001
We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and… (More)
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Highly Cited
2000
Highly Cited
2000
  • Maja J Matari
  • 2000
Imitation is a powerful means of skill acquisition, social interaction, and cultural transfer. Although popular notions of… (More)
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Highly Cited
1999
Highly Cited
1999
Valence correlation consistent and augmented correlation consistent basis sets have been determined for the third row, main group… (More)
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Highly Cited
1997
Highly Cited
1997
  • Akxandre Ponget
  • 1997
Sensorimotor transformations are nonlinear mappings of sensory inputs to motor responses. We explore here the possibility that… (More)
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1996
1996
We describe a simple method to automate the geometric optimization of molecular orbital calculations of supermolecules on… (More)
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