Contents
PTCP Aim and Scope
v
Preface
vii
Part I Quantum Chemistry Methodology
A Portal for Quantum Chemistry Data Based on the Semantic Web . . .
3
Bing Wang, Paul A. Dobosh, Stuart Chalk, Keigo Ito, Mirek Sopek
and Neil S. Ostlund
Matrix Elements for Explicitly-Correlated Atomic Wave Functions . . . . 29
Frank E. Harris
Effective Bond-Strength Indicators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
Gui-Xiang Wang, Yuzhe Stan Chen, Ya-Kun Chen
and Yan Alexander Wang
Advanced Relativistic Energy Approach in Electron-Collisional
Spectroscopy of Multicharged Ions in Plasmas . . . . . . . . . . . . . . . . . . . . 55
Alexander V. Glushkov, Vasily V. Buyadzhi, Andrey A. Svinarenko
and Eugeny V. Ternovsky
Relativistic Quantum Chemistry and Spectroscopy of Exotic Atomic
Systems with Accounting for Strong Interaction Effects . . . . . . . . . . . . . 71
O. Yu. Khetselius, A. V. Glushkov, Yu. V. Dubrovskaya,
Yu. G. Chernyakova, A. V. Ignatenko, I. N. Serga and L. A. Vitavetskaya
Part II Molecular Structure and Dynamics
Difference of Chirality of the Electron Between Enantiomers of H 2 X 2 . . . . . 95
Masato Senami, Ken Inada, Kota Soga, Masahiro Fukuda
and Akitomo Tachibana
xi