Basis set (chemistry)

Known as: Basis set, 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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Papers overview

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Highly Cited
2010
Highly Cited
2010
We develop the thermodynamic underpinnings of a two-dimensional volatility basis set (2D-VBS) employing saturation mass… (More)
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Highly Cited
2010
Highly Cited
2010
Sparse coding—that is, modelling data vectors as sparse linear combinations of basis elements—is widely used in machine learning… (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
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
We present a library of Gaussian basis sets that has been specifically optimized to perform accurate molecular calculations based… (More)
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Highly Cited
2003
Highly Cited
2003
A series of correlation consistent basis sets have been developed for the postd gr up 16–18 elements in conjunction with small… (More)
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Highly Cited
2002
Highly Cited
2002
In this article we present a new method for reconstructing three-dimensional ~3D! images with cylindrical symmetry from their two… (More)
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Highly Cited
1996
Highly Cited
1996
We describe a simple method to automate the geometric optimization of molecular orbital calculations of supermolecules on… (More)
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Highly Cited
1992
Highly Cited
1992
The calculation of accurate electron affinities (EAs) of atomic or molecular species is one of the most challenging tasks in… (More)
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Highly Cited
1991
Highly Cited
1991
We present an approach t o the detection and identification of human faces and describe a working, near-real-time face… (More)
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