Density Functional Theory for Excited States (Unbekannt)
- Neue Suche nach: Nagy, Ágnes
- Neue Suche nach: Nagy, Ágnes
In:
Advances in quantum chemistry
;
29
; 159-178
;
1997
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Density Functional Theory for Excited States
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Beteiligte:Nagy, Ágnes ( Autor:in )
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Erschienen in:Advances in quantum chemistry ; 29 ; 159-178
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Verlag:
- Neue Suche nach: Elsevier
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Erscheinungsort:Amsterdam [u.a.]
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Erscheinungsdatum:1997
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ISSN:
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ZDBID:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Print
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Sprache:Unbekannt
- Neue Suche nach: 33.23 / 35.11
- Weitere Informationen zu Basisklassifikation
- Neue Suche nach: 770/3615
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Schlagwörter:
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Klassifikation:
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Datenquelle:
Inhaltsverzeichnis – Band 29
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- 1
-
Twenty to Thirty Years of DV-Xa Calculations: A Survey of Accuracy and ApplicationsRosén, Arne et al. | 1997
- 49
-
Electronic State Calculation of Transition Metal ClusterAdachi, Hirohiko et al. | 1997
- 83
-
The Nature of the Chemical Bond in Hydrogen Storage CompoundsYukawa, H. et al. | 1997
- 109
-
Use of the DV-Xa Method in the Field of Superheavy AtomsFricke, B. et al. | 1997
- 123
-
Electronic Structures of Metal Carbides TiC and UC: Similarity and DissimilaritySekine, Rika et al. | 1997
- 137
-
Numerical Psuedopotentials within DV-Xa FrameworkGutsev, Gennady L. et al. | 1997
- 159
-
Density Functional Theory for Excited StatesNagy, Ágnes et al. | 1997
- 179
-
Theoretical Calculation of Molecular Photoelectron Spectrum by the First-Principles DV-Xa Molecular Orbital MethodAdachi, Hirohiko et al. | 1997
- 193
-
The Electronic Structure of Silicon ClustersKimura, Hitoshi et al. | 1997
- 207
-
Studies of the Valence Band of Tetrahedral OxyanionsCserny, I. et al. | 1997
- 233
-
Application of the Embedded Cluster Method to the Electronic State of Silicate GlassesKowada, Y. et al. | 1997
- 253
-
Bond Strength and Thermal Stability of Transition Metal NitridesTakahashi, Masao et al. | 1997
- 269
-
Electronic States of Impurities and Their Effect on Material PropertiesFukushima, Kimichika et al. | 1997
- 285
-
Electronic States of Oxygen Ions of Molten Slags Used for Iron and Steel MakingMorishita, Masao et al. | 1997
- 297
-
X-Ray Emission in MoleculesMukoyama, Takeshi et al. | 1997
- 329
-
DV-Xa Calculation of X-Ray Emission SpectraKawai, Jun et al. | 1997
- 357
-
X-Ray Absorbtion Near Edge Structure Study and DV-Xa Calculations on Some Square-Planar Copper(II) Complexes with Macrocyclic LigandsYarnashita, Seiichi et al. | 1997
- 373
-
Scattered-Wave Description of Inner-Shell Processes in Small Molecules and ClustersHartmann, Eberhard et al. | 1997
- 389
-
Resonant Orbital Rearrangement During F 1s Ionization or Decay ProcessUda, M. et al. | 1997
- 421
-
Charge Transfer in Al-Ni Alloys: A Spin-Selective StudyKovács, Zs et al. | 1997
- 433
-
Core-Electron Binding Energy Shifts in AluminumParagi, G. et al. | 1997
- 441
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Analysis of Core-Hole Effect in Cation L2,3-Edge of MgO, a-Al2O3 and SiO2 Based on DV-Xa Cluster CalculationsOgasawara, Kazuyoshi et al. | 1997
- 467
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Concluding RemarksUda, M. et al. | 1997
- 471
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Index| 1997
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ForewordKövér, L. et al. | 1997
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Contributors| 1997