Quantum Mechanical Cluster Calculations in Solid State Studies
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Published By WORLD SCIENTIFIC

9789810207502, 9789814360159

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ON THE CALCULATION OF DEFECT GIBBS ENERGIES FOR IONIC CRYSTALS

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0024 ◽

1992 ◽

pp. 447-470

Author(s):

P. W. M. JACOBS

Keyword(s):

Ionic Crystals ◽

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EVALUATION OF ELECTRON-ELECTRON INTERACTION ENERGIES FROM FIRST PRINCIPLE CALCULATIONS

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0021 ◽

1992 ◽

pp. 401-416

Author(s):

D. D. SARMA

Keyword(s):

Electron Interaction ◽

First Principle ◽

Interaction Energies ◽

First Principle Calculations

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THEORY OF DEFECTS AND DEFECT PROCESSES IN SILICON DIOXIDE AND THE SILICON-SILICON DIOXIDE INTERFACE

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0019 ◽

1992 ◽

pp. 375-388

Author(s):

W. BEALL FOWLER

Keyword(s):

Silicon Dioxide ◽

Silicon Silicon ◽

Silicon Silicon Dioxide Interface

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A THEORY OF SCANNING TUNNELING MICROSCOPY AND SPECTROSCOPY BASED ON THE LOCAL DENSITY FUNCTIONAL APPROACH

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0015 ◽

1992 ◽

pp. 313-325

Author(s):

MASARU TSUKADA ◽

KATSUYOSHI KOBAYASHI ◽

NOBUYUKI ISSHIKI

Keyword(s):

Scanning Tunneling Microscopy ◽

Density Functional ◽

Local Density ◽

Functional Approach ◽

Scanning Tunneling ◽

Tunneling Microscopy ◽

Local Density Functional

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NEW ACHIEVEMENTS IN THEORETICAL CALCULATIONS OF ELECTRONIC STRUCTURE AND PROPERTIES OF TRANSITION METAL REFRACTORY COMPOUNDS

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0012 ◽

1992 ◽

pp. 255-263

Author(s):

V. A. GUBANOV ◽

V. P. ZHUKOV ◽

A. L. IVANOVSKY

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Theoretical Calculations ◽

Structure And Properties ◽

Refractory Compounds

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EMBEDDED CLUSTER MODELS OF CERAMIC ELECTRONIC PROPERTIES

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0011 ◽

1992 ◽

pp. 227-254

Author(s):

D. E. ELLIS ◽

J. GUO ◽

D. J. LAM

Keyword(s):

Electronic Properties ◽

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STUDY OF EXCITED ELECTRONIC STATES IN INSULATORS

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0022 ◽

1992 ◽

pp. 417-434

Author(s):

K. S. SONG

Keyword(s):

Electronic States ◽

Excited Electronic States

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THE GREEN FUNCTION METHOD USED FOR MODELING THE SCANNING TUNNEL MICROSCOPE

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0016 ◽

1992 ◽

pp. 329-341

Author(s):

V. L. BULATOV ◽

A. K. KAZANSKY

Keyword(s):

Green Function ◽

Function Method ◽

Green Function Method ◽

Scanning Tunnel Microscope ◽

The Green Function

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EMBEDDED QUANTUM CLUSTER SIMULATION OF POINT DEFECTS AND ELECTRONIC BAND STRUCTURES OF IONIC CRYSTALS

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0010 ◽

1992 ◽

pp. 181-223

Author(s):

JOHN M. VAIL ◽

R. PANDEY ◽

A. B. KUNZ

Keyword(s):

Point Defects ◽

Ionic Crystals ◽

Band Structures ◽

Electronic Band ◽

Quantum Cluster ◽

Electronic Band Structures

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AB INITIO HARTREE-FOCK PERTURBED-CLUSTER TREATMENT OF LOCAL DEFECTS IN CRYSTALS: APPLICATION TO CARBON IMPURITIES IN SILICON

Quantum Mechanical Cluster Calculations in Solid State Studies ◽

10.1142/9789814360159_0007 ◽

1992 ◽

pp. 117-135

Author(s):

C. PISANI ◽

R. ORLANDO ◽

R. NADA

Keyword(s):

Ab Initio ◽

Defects In Crystals ◽

Hartree Fock ◽

Carbon Impurities ◽

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