Analysis of atomic orbital basis sets from the projection of plane-wave results
- 20 May 1996
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 8 (21) , 3859-3880
- https://doi.org/10.1088/0953-8984/8/21/012
Abstract
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This publication has 21 references indexed in Scilit:
- Projection of plane-wave calculations into atomic orbitalsSolid State Communications, 1995
- Linear system-size scaling methods for electronic-structure calculationsPhysical Review B, 1995
- Nonparametrized tight-binding method for local and extended defects in homopolar semiconductorsPhysical Review B, 1991
- Nonorthogonal basis sets in quantum mechanics: Representations and second quantizationPhysical Review A, 1991
- Nonparametrized calculation of the electronic and vibrational structure of amorphousPhysical Review B, 1991
- Application of the distance between subspaces to the evaluation of wavefunction qualityJournal of Molecular Structure: THEOCHEM, 1990
- The maximum overlap method: A general and efficient scheme for reducing basis sets. Application to the generation of approximate AO's for the 3d transition metal atoms and ionsJournal of Solid State Chemistry, 1986
- Momentum-space formalism for the total energy of solidsJournal of Physics C: Solid State Physics, 1979
- Norm-Conserving PseudopotentialsPhysical Review Letters, 1979
- Localized-orbital description of wave functions and energy bands in semiconductorsPhysical Review B, 1977