Journal Article10.1007/BF01589865
Linearized augmented plane wave method utilizing the quadratic energy expansion of radial wave functions
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TL;DR: The developed version of the augmented plane wave method yields eigenvalues and eigenfunctions with higher accuracy than the standard LAPW, while preserving its computational efficiency as mentioned in this paper.
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Abstract: The developed version of the augmented plane wave method yields eigenvalues and eigenfunctions with higher accuracy than the standard LAPW, preserving its computational efficiency.
read more
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Citations
Quadratic augmented plane wave method for self-consistent band structure calculations
TL;DR: The quadratic-APW (QAPW) method as mentioned in this paper is a more general formulation of the linear APW (LAPW), where the exact radial solution inside the muffin-tin (MT) sphere is replaced by its Taylor expansion with respect to the energy.
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Local‐Density‐Functional Approach to the Electronic Structure of Rhodium under High Pressure
TL;DR: In this article, the electronic structure of f.c.z.-Rhodium at three lattice constants corresponding to an ambient pressure up to 650 kbar is derived using self-consistent density-functional calculations by the quadratic-augmented-plane wave method.
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Extending the precision and efficiency of the all-electron full-potential linearized augmented plane-wave density-functional theory method
Gregor Michalicek,Eugene Krasovskii,Stefan Weßel,Stefan Blügel +3 more
- 01 Jan 2015
TL;DR: In this article, a linearized augmented lattice-adapted plane-wave (LA)2PW basis is proposed to increase the efficiency of the representation in the interstitial region by using linear combinations of plane waves instead of single plane waves, adapted to the crystal lattice and potential of the solid.
5
On the Slater's linearized version of the APW method
H. Havlová,L. Smrčka +1 more
TL;DR: In this paper, a linearized version of the APW method based on the augmented basis functions with continuous function values and first derivatives at the muffin-tin radius was proposed.
References
Use of energy derivative of the radial solution in an augmented plane wave method: application to copper
D D Koelling,G O Arbman +1 more
TL;DR: In this paper, the authors presented an application of the method, previously suggested by Marcus (1967) and analysed by Andersen to the Chodorow copper potential and examined its precision and its convergence properties.
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