In physics, a pseudopotential or effective potential is used as an approximation for the simplified description of complex systems. Applicationsâ€¦Â (More)

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2010

2010

Analytic results for twoand three-centre integrals are derived for the truncated spherical-wave basis set designed for firstâ€¦Â (More)

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2005

2005

- Nicholas P. Labello, Antonio M. Ferreira, Henry A. Kurtz
- Journal of Computational Chemistry
- 2005

Calculations of molecular polarizabilities require basis sets capable of accurately describing the responses of the electrons toâ€¦Â (More)

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2003

2003

We present a real space method for electronic structure calculations of periodic systems. Our method is based on self-consistentâ€¦Â (More)

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2003

2003

Relativistic and electron correlation effects play a important role in the electronic structure of molecules containing heavyâ€¦Â (More)

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Review

2002

Review

2002

- Alex Zunger
- 2002

We review the empirical pseudopotential method and its recent applications to the IIIâ€“V nitride alloys GaAsN, GaPN, GaInAsN andâ€¦Â (More)

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2001

2001

We present a parallel implementation of the previously developed folded spectrum method for empirical pseudopotential electronicâ€¦Â (More)

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Review

2000

Review

2000

In this review, I will describe the combination of pseudopotentials and density functional theory to determine the electronicâ€¦Â (More)

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1999

1999

We present a pseudopotential approach to the calculation of the excitonic spectrum of semiconductor quantum dots. Starting from aâ€¦Â (More)

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1998

1998

- David Vanderbilt
- 1998

An expression is given for the electronic polarization of an insulating crystal within the ultrasoft pseudopotential scheme. Theâ€¦Â (More)

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1996

1996

A plane-wave semiempirical pseudopotential method with nonlocal potentials and spin-orbit coupling is used to calculate theâ€¦Â (More)

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