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Computational Chemistry, Volume 10 [Kõva köide]

(1)
  • Formaat: Hardback, 898 pages, kõrgus x laius: 241x159 mm, kaal: 1790 g, colour and b&w illustrations, index
  • Sari: Handbook of Numerical Analysis
  • Ilmumisaeg: 30-May-2003
  • Kirjastus: Elsevier Science Ltd
  • ISBN-10: 0444512489
  • ISBN-13: 9780444512482
Teised raamatud teemal:
Computational Chemistry, Volume 10Suurem pilt
  • Formaat: Hardback, 898 pages, kõrgus x laius: 241x159 mm, kaal: 1790 g, colour and b&w illustrations, index
  • Sari: Handbook of Numerical Analysis
  • Ilmumisaeg: 30-May-2003
  • Kirjastus: Elsevier Science Ltd
  • ISBN-10: 0444512489
  • ISBN-13: 9780444512482
Teised raamatud teemal:
Püsilink: https://www.kriso.ee/db/9780444512482.html
Märksõnad:

Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.

Arvustused

"...A clear and detailed overview of the concepts, methods and problems encountered using numerical path following." -- Newsletter on Computational and Applied Mathematics, 1998"...this is an immensely thorough text, densely filled..." --Ultramiscroscopy, Vol. 80, 2000"...the volume would be a delight to the mathematically-oriented readers..." --Karmeshu and S Balasundaram, Journal of Scientific and Industrial Research, Vol. 59, 2000

General Preface v
Foreword vii
Computational Quantum Chemistry: A Primer
3(268)
E. Cances
M. Defranceschi
W. Kutzelnigg
C. Le Bris
Y. Maday
The Modeling and Simulation of the Liquid Phase
271(106)
J. Tomasi
B. Mennucci
P. Laug
An Introduction to First-Principles Simulations of Extended Systems
377(76)
F. Finocchi
J. Goniakowski
X. Gonze
C. Pisani
Computational Approaches of Relativistic Models in Quantum Chemistry
453(32)
J.P. Desclaux
J. Dolbeault
M.J. Esteban
P. Indelicato
E. Sere
Quantum Monte Carlo Methods for the Solution of the Schrodinger Equation for Molecular Systems
485(52)
A. Aspuru-Guzik
W.A. Lester, Jr.
Linear Scaling Methods for the Solution of Schrodinger's Equation
537(34)
S. Goedecker
Finite Difference Methods for Ab Initio Electronic Structure and Quantum Transport Calculations of Nanostructures
571(42)
J.-L. Fattebert
M.B. Nardelli
Using Real Space Pseudopotentials for the Electronic Structure Problem
613(26)
J.R. Chelikowsky
L. Kronik
I. Vasiliev
M. Jain
Y. Saad
Scalable Multiresolution Algorithms for Classical and Quantum Molecular Dynamics Simulations of Nanosystems
639(28)
A. Nakano
T.J. Campbell
R.K. Kalia
S. Kodiyalam
S. Ogata
F. Shimojo
X. Su
P. Vashishta
Simulating Chemical Reactions in Complex Systems
667(32)
M.J. Field
Biomolecular Conformations Can Be Identified as Metastable Sets of Molecular Dynamics
699(46)
Ch. Schutte
W. Huisinga
Theory of Intense Laser-Induced Molecular Dissociation: From Simulation to Control
745(58)
O. Atabek
R. Lefebvre
T.T. Nguyen-Dang
Numerical Methods for Molecular Time-Dependent Schrodinger Equations -- Bridging the Perturbative to Nonperturbative Regime
803(30)
A.D. Bandrauk
H.-Z. Lu
Control of Quantum Dynamics: Concepts, Procedures and Future Prospects
833(56)
H. Rabitz
G. Turinici
E. Brown
Subject Index 889