Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods

D. J. Singh; H. Krakauer; C. Haas; A. Y. Liu

doi:10.1103/physrevb.46.13065

Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods

Physical Review B ◽

10.1103/physrevb.46.13065 ◽

1992 ◽

Vol 46 (20) ◽

pp. 13065-13072 ◽

Cited By ~ 20

Author(s):

D. J. Singh ◽

H. Krakauer ◽

C. Haas ◽

A. Y. Liu

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Augmented Plane Wave ◽

Electronic Structure Methods ◽

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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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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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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Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity inC15 compounds:ZrZn2andZrV2

Physical Review B ◽

10.1103/physrevb.37.3489 ◽

1988 ◽

Vol 37 (7) ◽

pp. 3489-3496 ◽

Cited By ~ 26

Author(s):

Mei-chun Huang ◽

H. J. F. Jansen ◽

A. J. Freeman

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Local Density ◽

Full Potential ◽

Augmented Plane Wave ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Self-consistent linearized augmented-plane-wave study of the electronic structure and superconductivity of fcc lanthanum under pressure

Physical Review B ◽

10.1103/physrevb.22.2695 ◽

1980 ◽

Vol 22 (6) ◽

pp. 2695-2715 ◽

Cited By ~ 131

Author(s):

Warren E. Pickett ◽

A. J. Freeman ◽

D. D. Koelling

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Augmented Plane Wave ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Correction [to “Linearized augmented plane wave electronic structure calculations for MgO and CaO” by M. J. Mehl, R. E. Cohen, and H. Krakauer]

Journal of Geophysical Research Atmospheres ◽

10.1029/jb094ib02p01977 ◽

1989 ◽

Vol 94 (B2) ◽

pp. 1977 ◽

Cited By ~ 6

Author(s):

M. J. Mehl ◽

R. E. Cohen ◽

H. Krakauer

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Erratum: Self-consistent linearized augmented-plane-wave study of the electronic structure and superconductivity of fcc lanthanum under pressure

Physical Review B ◽

10.1103/physrevb.23.5651 ◽

1981 ◽

Vol 23 (10) ◽

pp. 5651-5651 ◽

Cited By ~ 2

Author(s):

Warren E. Pickett ◽

A. J. Freeman ◽

D. D. Koelling

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Augmented Plane Wave ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Linearized augmented plane wave electronic structure calculations for MgO and CaO

Journal of Geophysical Research Atmospheres ◽

10.1029/jb093ib07p08009 ◽

1988 ◽

Vol 93 (B7) ◽

pp. 8009 ◽

Cited By ~ 139

Author(s):

M. J. Mehl ◽

R. E. Cohen ◽

H. Krakauer

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Erratum: Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity inC15compounds: ZrZn2and ZrV2

Physical Review B ◽

10.1103/physrevb.39.4725.2 ◽

1989 ◽

Vol 39 (7) ◽

pp. 4725-4725

Author(s):

Mei-chun Huang ◽

H. J. F. Jansen ◽

A. J. Freeman

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Local Density ◽

Full Potential ◽

Augmented Plane Wave ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten

Physical Review B ◽

10.1103/physrevb.32.7792 ◽

1985 ◽

Vol 32 (12) ◽

pp. 7792-7797 ◽

Cited By ~ 129

Author(s):

Su-Huai Wei ◽

Henry Krakauer ◽

M. Weinert

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Total Energy ◽

Augmented Plane Wave ◽

Linearized Augmented Plane Wave ◽

Wave Calculation

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