Isaiah Shavitt - A Memorial Festschrift from Theoretical Chemistry Accounts

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.

Sommario

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.

Info autore

S. C. Zimmerman • R. M. Pitzer

Riassunto

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.

Dettagli sul prodotto

• Con la collaborazione di: Thom Dunning (Editore), Russel M Pitzer (Editore), Russell M Pitzer (Editore), Russell M. Pitzer (Editore), Ron Shepard (Editore)
• Editore: Springer, Berlin
• Lingue: Inglese
• Formato: Tascabile
• Pubblicazione: 01.01.2016
• EAN: 9783662516706
• ISBN: 978-3-662-51670-6
• Pagine: 359
• Dimensioni: 210 mm x 20 mm x 279 mm
• Peso: 906 g
• Illustrazioni: VII, 359 p.
• Serie: Highlights in Theoretical Chemistry; Highlights in Theoretical Chemistry
• Categorie: Scienze naturali, medicina, informatica, tecnica > Chimica > Chimica teorica; B, Chemistry and Materials Science, Nuclear physics, Physical Chemistry, Atomic structure, Molecular structure, Atomic/Molecular Structure and Spectra, Atomic and Molecular Structure and Properties, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry