In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Autorentext
Angela K. Wilson · Kirk A. Peterson · David E. Woon

Inhalt

From the Contents: Thom H. Dunning: Contributions to Chemical Theory and Computing.- Transition metal atomic multiplet states through the lens of single reference coupled-cluster and the equation-of-motion coupled-cluster methods.- Negative Electron Affinities From Conventional Electronic Structure Methods.- Molecular Orbital Interpretation of the Metal-Metal Multiple Bonding in Coaxial Dibenzene Dimetal Compounds of Iron, Manganese, and Chromium.