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Gaussian orbital

Known as: Gaussian orbitals, Molecular integrals, Gaussian-type orbital 
In computational chemistry and molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as… Expand
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Highly Cited
2003
Highly Cited
2003
Over the last years significant efforts have been made to develop kernels that can be applied to sequence data such as DNA, text… Expand
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Highly Cited
2002
Highly Cited
2002
In a recently developed approach to ab initio molecular dynamics (ADMP), we used an extended Lagrangian to propagate the density… Expand
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Highly Cited
2002
Highly Cited
2002
GTOBAS is a program for fitting Gaussian-type orbitals (GTOs) to Bessel and Coulomb functions over a finite range. The exponents… Expand
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Highly Cited
2001
Highly Cited
2001
We propose and implement an alternative approach to the original Car–Parrinello method where the density matrix elements (instead… Expand
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Highly Cited
2001
Highly Cited
2001
We present photometric observations of an apparent Type Ia supernova (SN Ia) at a redshift of approximately 1.7, the farthest SN… Expand
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Highly Cited
2000
Highly Cited
2000
Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions 
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Highly Cited
1995
Highly Cited
1995
This paper shows that the unified power flow controller (UPFC) is able to control both the transmitted real power and… Expand
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Highly Cited
1993
Highly Cited
1993
Abstract We present the design of a mode converter which transforms a Hermite-gaussian mode of arbitrarily high order to a… Expand
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Highly Cited
1992
Highly Cited
1992
We present the theory, computational implementation, and applications of a density functional Gaussian‐type‐orbital approach… Expand
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Highly Cited
1992
Highly Cited
1992
Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self… Expand
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