Topics in Computational Materials Science
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9789810231491, 9789812817006

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BOND SATURATION MODEL: A LATTICE GAS APPROACH FOR STUDYING CLOSE PACKED METALLIC SURFACES

Topics in Computational Materials Science ◽

10.1142/9789812817006_0008 ◽

1998 ◽

pp. 306-368

Author(s):

M. C. FALLIS ◽

C. Y. FONG

Keyword(s):

Lattice Gas ◽

Metallic Surfaces ◽

Saturation Model

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PLANE-WAVE PSEUDOPOTENTIAL ELECTRONIC STRUCTURE CALCULATIONS ON PARALLEL SUPERCOMPUTERS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0002 ◽

1998 ◽

pp. 61-95

Author(s):

J. S. NELSON ◽

S. J. PLIMPTON

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Parallel Supercomputers ◽

Structure Calculations

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FIRST-PRINCIPLES THEORY OF ELECTRON EXCITATION ENERGIES IN SOLIDS, SURFACES, AND DEFECTS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0003 ◽

1998 ◽

pp. 96-142 ◽

Author(s):

STEVEN G. LOUIE

Keyword(s):

First Principles ◽

Electron Excitation ◽

Excitation Energies

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SIMULATION OF SEMICONDUCTOR GROWTH MECHANISMS IN THE PRESENCE OF ADSORBATE LAYERS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0007 ◽

1998 ◽

pp. 263-305

Author(s):

EFTHIMIOS KAXIRAS

Keyword(s):

Growth Mechanisms

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FRONT MATTER

Topics in Computational Materials Science ◽

10.1142/9789812817006_fmatter ◽

1998 ◽

pp. i-xi

Author(s):

C. Y. Fong

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BACK MATTER

Topics in Computational Materials Science ◽

10.1142/9789812817006_bmatter ◽

1998 ◽

pp. 369-382

Author(s):

C. Y. Fong

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TIGHT-BINDING PARAMETRIZATION OF FIRST-PRINCIPLES RESULTS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0005 ◽

1998 ◽

pp. 169-213 ◽

Author(s):

MICHAEL J. MEHL ◽

DIMITRIOS A. PAPACONSTANTOPOULOS

Keyword(s):

First Principles ◽

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ADVANCES IN ALGORITHMIC DEVELOPMENT IN THE ELECTRONIC STRUCTURE OF LARGE SYSTEMS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0001 ◽

1998 ◽

pp. 1-60

Author(s):

E. B. STECHEL

Keyword(s):

Electronic Structure ◽

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PHOTONIC BAND STRUCTURE

Topics in Computational Materials Science ◽

10.1142/9789812817006_0004 ◽

1998 ◽

pp. 143-168 ◽

Author(s):

R. BISWAS ◽

M. M. SIGALAS ◽

C. M. SOUKOULIS ◽

K. M. HO

Keyword(s):

Band Structure ◽

Photonic Band Structure ◽

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FIRST PRINCIPLES STUDIES OF STABILITY OF INTERMETALLIC BINARY ALLOYS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0006 ◽

1998 ◽

pp. 214-262

Author(s):

Z. W. LU ◽

B. M. KLEIN

Keyword(s):

First Principles ◽

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