Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:O2molecule

E. Wimmer; H. Krakauer; M. Weinert; A. J. Freeman

doi:10.1103/physrevb.24.864

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:O2molecule

Physical Review B ◽

10.1103/physrevb.24.864 ◽

1981 ◽

Vol 24 (2) ◽

pp. 864-875 ◽

Cited By ~ 1741

Author(s):

E. Wimmer ◽

H. Krakauer ◽

M. Weinert ◽

A. J. Freeman

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Structure Of Molecules ◽

Augmented Plane Wave Method ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Self-consistent linearized-augmented-plane-wave-method determination of electronic structure and surface states on Al(111)

Physical Review B ◽

10.1103/physrevb.23.1685 ◽

1981 ◽

Vol 23 (4) ◽

pp. 1685-1691 ◽

Cited By ~ 67

Author(s):

Ding-sheng Wang ◽

A. J. Freeman ◽

H. Krakauer ◽

M. Posternak

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Surface States ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Electronic-structure calculations of (AAs)m(GaAs)n superlattices based on full-potential linearized augmented-plane-wave method

Superlattices and Microstructures ◽

10.1016/0749-6036(87)90077-2 ◽

1987 ◽

Vol 3 (3) ◽

pp. 301-305 ◽

Cited By ~ 11

Author(s):

Noriaki Hamada ◽

Shuhei Ohnishi

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Electronic Structure Calculations ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Operator approach in the linearized augmented-plane-wave method: Efficient electronic-structure calculations including forces

Physical Review B ◽

10.1103/physrevb.45.1597 ◽

1992 ◽

Vol 45 (4) ◽

pp. 1597-1604 ◽

Cited By ~ 33

Author(s):

S. Goedecker ◽

K. Maschke

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Electronic Structure Calculations ◽

Wave Method ◽

Operator Approach ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method

Physical Review B ◽

10.1103/physrevb.69.024415 ◽

2004 ◽

Vol 69 (2) ◽

Cited By ~ 136

Author(s):

Ph. Kurz ◽

F. Förster ◽

L. Nordström ◽

G. Bihlmayer ◽

S. Blügel

Keyword(s):

Plane Wave ◽

Ab Initio ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.92.115132 ◽

2015 ◽

Vol 92 (11) ◽

Cited By ~ 7

Author(s):

Lin-Hui Ye

Keyword(s):

Plane Wave ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Electronic structure of KTiOAsO4: A comparative study by the full potential linearized augmented plane wave method, X-ray emission spectroscopy and X-ray photoelectron spectroscopy

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2008.10.144 ◽

2009 ◽

Vol 477 (1-2) ◽

pp. 768-775 ◽

Cited By ~ 38

Author(s):

O.Yu. Khyzhun ◽

V.L. Bekenev ◽

V.V. Atuchin ◽

A.K. Sinelnichenko ◽

L.I. Isaenko

Keyword(s):

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Emission Spectroscopy ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

X Ray ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Full-potential linearized augmented plane-wave method for one-dimensional systems: Gold nanowire and iron monowires in a gold tube

Physical Review B ◽

10.1103/physrevb.72.045402 ◽

2005 ◽

Vol 72 (4) ◽

Cited By ~ 47

Author(s):

Y. Mokrousov ◽

G. Bihlmayer ◽

S. Blügel

Keyword(s):

Plane Wave ◽

Full Potential ◽

Wave Method ◽

Gold Nanowire ◽

Augmented Plane Wave ◽

One Dimensional ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Studies on the electronic structure of some cubic intermetallic compounds of dysprosium following the self-consistent augmented-plane-wave method

Physical Review B ◽

10.1103/physrevb.12.3956 ◽

1975 ◽

Vol 12 (9) ◽

pp. 3956-3963 ◽

Cited By ~ 34

Author(s):

M. Belakhovsky ◽

D. K. Ray

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Intermetallic Compounds ◽

The Self ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Self Consistent

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Calibration of the isomer shift for the14.4−keVtransition inFe57using the full-potential linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.76.155118 ◽

2007 ◽

Vol 76 (15) ◽

Cited By ~ 68

Author(s):

U. D. Wdowik ◽

K. Ruebenbauer

Keyword(s):

Plane Wave ◽

Isomer Shift ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Treatment of semicore states in the linearized augmented-plane-wave method and other linearized electronic-structure methods

Physical Review B ◽

10.1103/physrevb.47.9881 ◽

1993 ◽

Vol 47 (15) ◽

pp. 9881-9883 ◽

Cited By ~ 1

Author(s):

S. Goedecker

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Electronic Structure Methods ◽

Linearized Augmented Plane Wave

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