Computational chemistry : special volume
Author(s)
Bibliographic Information
Computational chemistry : special volume
(Handbook of numerical analysis / general editors, P.G. Ciarlet, J.L. Lions, v. 10)
North-Holland , Elsevier, 2003
Available at 25 libraries
  Aomori
  Iwate
  Miyagi
  Akita
  Yamagata
  Fukushima
  Ibaraki
  Tochigi
  Gunma
  Saitama
  Chiba
  Tokyo
  Kanagawa
  Niigata
  Toyama
  Ishikawa
  Fukui
  Yamanashi
  Nagano
  Gifu
  Shizuoka
  Aichi
  Mie
  Shiga
  Kyoto
  Osaka
  Hyogo
  Nara
  Wakayama
  Tottori
  Shimane
  Okayama
  Hiroshima
  Yamaguchi
  Tokushima
  Kagawa
  Ehime
  Kochi
  Fukuoka
  Saga
  Nagasaki
  Kumamoto
  Oita
  Miyazaki
  Kagoshima
  Okinawa
  Korea
  China
  Thailand
  United Kingdom
  Germany
  Switzerland
  France
  Belgium
  Netherlands
  Sweden
  Norway
  United States of America
-
Library, Research Institute for Mathematical Sciences, Kyoto University数研
C||Handbook-12||1004027300
Note
Includes bibliographical references (p. 882-887) and index
Description and Table of Contents
Description
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.
Table of Contents
- Computational quantum chemistry - a primer, C. Cances, M. Defranceschi, W. Kutzelnigg, C. Le Bris, Y. Maday
- the modelling and simulation of the liquid phase, J. Tomasi, B. Mennucci, P. Laug
- an introduction to first-principles simulations of extended systems, F. Finocchi, J. Goniakowski, X. Gonze, C. Pisani
- computational approaches of relativistic models in quantum chemistry, 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, A. Aspuro-Guzik, W.A. Lester Jr
- linear scaling methods for the solution of Schrodinger's equation, S. Goedecker
- finite difference methods for ab initio electronic structure and quantum transport calculations of nanostructures, J.-L. Fattebert, M.B. Nardelli
- using real space pseudopotentials for the electronic structure problem, J.R. Chelikowski, L. Kronik, I. Vasiliev, M. Jain, Y. Saad
- scalable multiresolution algorithms for classical and quantum molecular dynamics simulations of nanosystems, A. Nakano, T.J. Campbell, R.K. Kalia, S. Kodiyalam, S. Ogata, F. Shimojo, X. Su, P. Vashishta
- simulating chemical reactions in complex systems, M.J. Field
- biomolecular conformations can be identified as metastable sets of molecular dynamics, C. Schutte, W. Huisinga
- theory of intense laser-induced molecular dissociation: from simulation to control, O. Atabek, R. Lefebre, T.T. Nguyen-Dang
- numerical methods for molecular time-dependent Schrodinger equations - bridging the perturbative to non-perturbative regime, A.D. Bandrauk, H.-Z. Lu
- control of quantum dynamics - concepts, procedures and future prospects, H. Rabitz, G. Turinici, E. Brown.
by "Nielsen BookData"