Electronic Structure Calculations for YBa2Cu3O7 by the Self-Consistent Crystalline Orbital Method

physica status solidi (b) ◽

10.1002/pssb.2221680209 ◽

1991 ◽

Vol 168 (2) ◽

pp. 467-477 ◽

Author(s):

A. B. Filonov ◽

V. E. Borisenko

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

The Self ◽

Orbital Method ◽

Self Consistent ◽

Structure Calculations

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Simplifying the self-consistent procedure in crystal electronic-structure calculations

Journal of Structural Chemistry ◽

10.1007/bf00752079 ◽

1988 ◽

Vol 28 (5) ◽

pp. 810-810

Author(s):

R. A. �varestov ◽

V. A. Veryazov ◽

A. V. Leko

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

The Self ◽

Self Consistent ◽

Structure Calculations

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Electronic structure calculations of perovskite-type oxides using the self-consistent-charge extended Hückel tight-binding method

Ferroelectrics ◽

10.1080/00150199808229910 ◽

1998 ◽

Vol 210 (1) ◽

pp. 13-29 ◽

Author(s):

Michihide Kitamura ◽

Hayden Chen

Keyword(s):

Electronic Structure ◽

Tight Binding ◽

Electronic Structure Calculations ◽

The Self ◽

Extended Hückel ◽

Self Consistent ◽

Tight Binding Method ◽

Perovskite Type ◽

Structure Calculations

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Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations

Physical Review B ◽

10.1103/physrevb.102.195138 ◽

2020 ◽

Vol 102 (19) ◽

Author(s):

Miriam Winkelmann ◽

Edoardo Di Napoli ◽

Daniel Wortmann ◽

Stefan Blügel

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Self Consistent ◽

Structure Calculations

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A Second-Variational Prediction Operator for Fast Convergence in Self-Consistent Electronic-Structure Calculations

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.45.1422 ◽

2004 ◽

Vol 45 (5) ◽

pp. 1422-1428 ◽

Author(s):

Akitaka Sawamura ◽

Masanori Kohyama

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Fast Convergence ◽

Self Consistent ◽

Structure Calculations

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Self-consistent augmented-plane-wave electronic-structure calculations for theA15compoundsV3XandNb3X,X=Al,Ga,Si,Ge,andSn

Physical Review B ◽

10.1103/physrevb.18.6411 ◽

1978 ◽

Vol 18 (12) ◽

pp. 6411-6438 ◽

Author(s):

B. M. Klein ◽

L. L. Boyer ◽

D. A. Papaconstantopoulos ◽

L. F. Mattheiss

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Self Consistent ◽

Structure Calculations

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Wavelets in Self-Consistent Electronic Structure Calculations

Physical Review Letters ◽

10.1103/physrevlett.76.2650 ◽

1996 ◽

Vol 76 (15) ◽

pp. 2650-2653 ◽

Author(s):

Siqing Wei ◽

M. Y. Chou

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Self Consistent ◽

Structure Calculations

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Manifestations of Symmetry Breaking in Self-consistent Field Electronic Structure Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0224665 ◽

2003 ◽

Vol 107 (43) ◽

pp. 9160-9167 ◽

Author(s):

Barry D. Dunietz ◽

Martin Head-Gordon

Keyword(s):

Electronic Structure ◽

Symmetry Breaking ◽

Electronic Structure Calculations ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Structure Calculations

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ChemInform Abstract: CALCULATION OF THE ELECTRONIC STRUCTURE OF BORANES BY THE SELF-CONSISTENT MOLECULAR ORBITAL METHOD PART 3, EXCITED STATES OF CAGE SPECIES

Chemischer Informationsdienst ◽

10.1002/chin.197403003 ◽

1974 ◽

Vol 5 (3) ◽

pp. no-no

Author(s):

DAVID R. ARMSTRONG ◽

PETER G. PERKINS ◽

JAMES J. P. STEWART

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

Excited States ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Self-consistent electronic-structure calculations of the (101¯0) surfaces of the wurtzite compounds ZnO and CdS

Physical Review B ◽

10.1103/physrevb.49.17092 ◽

1994 ◽

Vol 49 (24) ◽

pp. 17092-17101 ◽

Author(s):

Peter Schröer ◽

Peter Krüger ◽

Johannes Pollmann

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Self Consistent ◽

Structure Calculations

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Linear augmented-Slater-type-orbital method for electronic-structure calculations. IV.5d-5dalloys

Physical Review B ◽

10.1103/physrevb.34.8421 ◽

1986 ◽

Vol 34 (12) ◽

pp. 8421-8429 ◽

Author(s):

R. E. Watson ◽

J. W. Davenport ◽

M. Weinert

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Structure Calculations

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