Isaiah Shavitt

A Memorial Festschrift from Theoretical Chemistry Accounts

Ron Shepard, Russell M. Pitzer, Thom Dunning (Herausgeber)

Buch | Softcover

VII, 359 Seiten

2016 | 1. Softcover reprint of the original 1st ed. 2016
Springer Berlin (Verlag)
978-3-662-51670-6 (ISBN)

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In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , 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.

S. C. Zimmerman • R. M. Pitzer

From the Contents: The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics.- Anchoring the Potential Energy Surface for the Br + H2O HBr + OH Reaction.- Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method.- Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning.

Erscheinungsdatum	19.08.2017
Reihe/Serie	Highlights in Theoretical Chemistry
Zusatzinfo	VII, 359 p.
Verlagsort	Berlin
Sprache	englisch
Maße	210 x 279 mm
Gewicht	906 g
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
Themenwelt	Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
Schlagworte	Isaiah Shavitt Festschrift • One-dimensional Hubbard models • Performance of Density Functionals • Shavitt Graph Density • Spin-Orbit Configuration Interaction • Wave Function Analysis
ISBN-10	3-662-51670-5 / 3662516705
ISBN-13	978-3-662-51670-6 / 9783662516706
Zustand	Neuware