
Electronic Structure of Clusters
Direct Variational X-I Method
Description
Readership
Table of Contents
- L. Kover, Foreword. A. Rosen, Twenty to Thirty Years of DV-X( Calculations: A Survey of Accuracy and Applications. H. Adachi, Electronic State Calculation of Transition Metal Cluster. H. Yukawa and M. Morinaga, The Nature of the Chemical Bond in Hydrogen Storage Compounds. B. Fricke, W.-D. Sepp, T. Bastug, S. Varga, K. Schulze, and J. Anton, Use of the DV-X( Method in the Field of Superheavy Atoms. R. Sekine, H. Nakamatsu, T. Mukoyama, J. Onoe,M. Hirata, M. Kurihara, and H. Adachi, Electronic Structures of Metal Carbides TiC and UC: Similarity and Dissimilarity. G.L. Gustav, Numerical Psuedopotentials within DV-X( Framework. A. Nagy, Density Functional Theory for Excited States.H. Adachi, Theoretical Calculation of Molecular Photoelectron Spectrum by the First-Principles DV-X( Molecular Orbital Method. H. Kimura, S. Imanaga, Y. Hayafunji, and H. Adachi, The Electronic Structure of Silicon Clusters. I. Cserny, Studies of the Valence Band of Tetrahedral Oxyanions. Y. Kowada and D.E. Ellis, Application of the Embedded Cluster Method to the Electronic State of Silicate Glasses. M. Takahashi, G.-C. Lai, K. Ohta, and F. Kanamaru, Bond Strength and ThermalStability of Transition Metal Nitrides. K. Fukushima and H. Endo, Electronic States of Impurities and Their Effect on Material Properties. M. Morishita, K. Koyama, A. Hatamoto, M. Morinaga, and H. Adachi, Electronic States of Oxygen Ions of Molten Slags Used for Iron and Steel Making. T. Mukoyama, K. Taniguchi, and H. Adachi, X-Ray Emission in Molecules. J. Kawai, DV-X( Calculation of X-Ray Emission Spectra. S. Yamashita, M. Fujiwara, Y. Kato, T. Yamaguchi, H. Wakita, and H. Adachi, X-Ray Absorption Near Edge Structure Study and DV-X( Calculations on Some Square-Planar Copper(II) Complexes with Macrocyclic Ligands. E. Hartman and C. Lauterbach, Scattered-Wave Description of Inner-Shell Processes in Small Molecules andClusters. M. Uda, T. Yamamoto, and T. Takenaga, Resonant Orbital Rearrangement During F 1s Ionization or Decay Process. Z. Kovacs, L. Kover, and H. Adachi, Charge Transfer in Al-Ni Alloys: A Spin-Selective Study. G. Paragi, I.K. Gyemant, and Z. Varga, Core-Electron Binding Energy Shifts in Aluminium. K. Ogasawara, I. Tanaka, and H. Adachi, Analysis or Core-Hole Effect in Cation L<->2,3-Edge of MgO, (-Al<->2 O<->3 and SiO<->2 Based on DV-X( Cluster Calculations. M. Uda, Concluding Remarks. Subject Index.
Product details
- No. of pages: 481
- Language: English
- Copyright: © Academic Press 1998
- Published: February 6, 1998
- Imprint: Academic Press
- eBook ISBN: 9780080582542
About the Serial Volume Editors
Jun Kawai
Affiliations and Expertise
Laszlo Kover
Affiliations and Expertise
Hirohiko Adachi
About the Serial Editors
Michael Zerner
Affiliations and Expertise
John Sabin

Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.
Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.
Affiliations and Expertise
Erkki Brandas

Affiliations and Expertise
About the Editor in Chief
Per-Olov Lowden
Affiliations and Expertise
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