New Methods in Computational Quantum Mechanics, Volume 93

New Methods in Computational Quantum Mechanics, Volume 93

Rice, Stuart A.; Prigogine, Ilya

John Wiley & Sons Inc

07/1996

832

Mole

Inglês

9780471143215

15 a 20 dias

1240

Descrição não disponível.
Quantum Monte Carlo Methods in Chemistry (D. Ceperley & L. Mitas).

Monte Carlo Methods for Real-Time Path Integration (C. Mak & R. Egger).

The Redfield Equation in Condensed-Phase Quantum Dynamics (W. Pollard, et al.).

Path-Integral Centroid Methods in Quantum Statistical Mechanics and Dynamics (G. Voth).

Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy (B. Roos, et al.).

Electronic Structure Calculations for Molecules Containing Transition Metals (P. Siegbahn).

The Interface Between Electronic Structure Theory and Reaction Dynamics by Reaction Path Methods (M. Collins).

Algebraic Models in Molecular Spectroscopy (S. Oss).

Tight-Binding Molecular Dynamics Studies of Covalent Systems (C. Wang & K. Ho).

Perspectives on Semiempirical Molecular Orbital Theory (W. Thiel).

Indexes.
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technical; quantum; quantitative; difficulty; molecular properties; chemistry; prediction; use; advances; formalism; hardware; last; accurate; decade; computer; substantial; calculations; reliable; interpretation; phenomena