New trends in quantum systems in chemistry and physics
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Bibliographic Information
New trends in quantum systems in chemistry and physics
(Progress in theoretical chemistry and physics, v. 6-7)
Kluwer Academic Publishers, c2001
- : set
- : v. 1
- : v. 2
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Note
Includes bibliographical references and index
Contents of Works
- v. 1. Basic problems and model systems, Paris, France, 1999
- v. 2. Advanced problems and complex systems, Paris, France, 1999
Description and Table of Contents
- Volume
-
: v. 1 ISBN 9780792367086
Description
Table of Contents
- Preface. Part I: Density Matrices and Density Functionals. Are exact Kohn-Sham potentials equivalent to local functions? R.K. Nesbet, R. Colle. A theory of exact exchange relations for a single excited state
- A. Nagy. Correlation energy contributions from low-lying states to density functionals in the KLI approximation
- C. Gutle, et al. Orbital local-scaling transformation approach to fermionic systems in the ground state
- Ya.I. Delchev, et al. Reduced density matrix treatment of spin-orbit interaction terms in many-electron systems
- R.L. Pavlov, et al. Part II: Electron Correlation Treatments. Many-electron Sturmians applied to atoms and ions in strong external fields
- J. Avery, C. Coletti. An implementation of the configuration-selecting multireference configuration-interaction method on massively parallel architectures
- P. Stampfuss, W. Wenzel. Comments on the basis sets used in recent studies of electron correlation in small molecules
- S. Wilson, et al. Part III: Relativistic Formulations and Effects. Relativistic quantum mechanics of atoms and molecules
- H.M. Quiney. Variational principle in the Dirac theory: spurious solutions, unexpected extrema and other traps
- M. Stanke, J. Karwowski. Relativistic multireference many-body perturbation theory
- M.J. Vilkas, et al. Relativistic valence-bond theory and its application to metastable Xe2
- S. Kotochigova, et al. Relativistic quantum chemistry of superheavy transactinide elements
- G.L. Malli. Part IV: Valence Theory. The nature of binding in HRgY compounds (Rg = Ar, Kr, Xe
- Y = F, Cl) based on the topological analysis of the electron localisation function (ELF)
- S. Berski, et al. Symmetry separated (sigma+pi vs bent bond (Omega) models offirst-row transition-metal methylene cations
- F. Ogliaro, et al. Hartree-Fock study of hydrogen-bonded systems in the absence of basis-set superposition error: the nucleic-acid base pairs
- A. Famulari, et al. Proton transfer and non-dynamical correlation energy in model molecular systems
- H. Chojnacki. Part V: Nuclear Motion. Large-amplitude motions in electronically excited states: a study of the S1 excited state of formic acid
- L.M. Beaty-Travis, et al. Ab-Initio harmonic analysis of large-amplitude motions in ethanol dimers
- M.L. Senent, et al. Vibrational first hyperpolarizability of methane and its fluorinated analogs
- O. Quinet, B. Champagne. Staggering effects in nuclear and molecular spectra
- D. Bonatsos, et al. Contents of Volume 2. Combined Index to Volumes 1 and 2.
- Volume
-
: v. 2 ISBN 9780792367093
Description
Table of Contents
- Preface. Part VI: Response Theory: Properties and Spectra. On gauge invariance and molecular electrodynamics
- R.G. Woolley. Quantum mechanics of electro-nuclear systems: towards a theory of chemical reactions
- O. Tapia. Theoretical study of regularities in atomic and molecular spectral properties
- I. Martin, et al. Excited states of hydrogen peroxide: an overview
- P.K. Mukherjee, et al. On electron dynamics in violent cluster excitations
- P.G. Reinhard, E. Suraud. Relativistic effects in non-linear atom-laser interactions at ultrahigh intensities
- V. Veniard, et al. Part VII: Reactive Collisions and Chemical Reactions. Semiclassical close-coupling description of electron transfer in multi-charged ion-atom collisions
- J. Caillat, et al. Single and double electron capture in boron collision systems
- M.C. Bacchus-Montabonel, P. Honvault. Theoretical study of the interaction of carbon dioxide with Sc, Ti, Ni, and Cu atoms
- F. Mele, et al. Part VIII: Condensed Matter. Recurrent variational approach applied to the electronic structure of conjugated polymers
- S. Pleutin, et al. Effects of solvation for (R,R)-tartaric acid amides
- M. Hoffmann, J. Rychlewski. Interpretation of vibrational spectra in electrochemical environments from first-principle calculations: computational strategies
- M. Garcia-Hernandez, et al. Excited states in metal oxides by configuration interaction and multireference perturbation theory
- C. Sousa, et al. Electrostatic effects in the heterolytic dissociation of hydrogen on magnesium oxide
- C. Pisani, A.D'Ercole. A DFT study of CO adsorption on NiII ions 3-fold coordinated to silica
- D. Costa, et al. A theoretical study of structure and reactivity of titanium chlorides
- C. Martinsky, C. Minot. Phenomenological descriptionof D-wave condensates in high-Tc superconducting cuprates
- E. Brandas, et al. Contents of Volume 1. Combined Index to Volumes 1 and 2.
- Volume
-
: set ISBN 9780792367109
Description
Table of Contents
- Part VI Response theory - properties and spectra: on gauge invariance and molecular electrodynamics, R.G. Woolley
- quantum mechanics of electro-nuclear systems - towards a theory of chemical reactions, O. Tapia
- theoretical study of regularities in atomic and molecular spectral properties, I. Martin, et al
- excited states of hydrogen peroxide - an overview, P.K. Mukherjee, et al.
- on electron dynamics in violent cluster excitations, P.G. Reinhard, E. Suraud
- relativistic effects in non-linear atom-laser interactions at ultrahigh intensities, V. Veniard, et al. Part VII Reactive collisions and chemical reactions: semiclassical close-coupling description of electron transfer in multi-charged ion-atom collisions, J. Caillat, et al.
- single and double electron capture in boron collision systems, M.C. Bacchus-Montabonel, P. Honvault. Theoretical study of the interaction of carbon dioxide with Sc, Ti, Ni, and Cu-atoms, F. Mele, et al. Part VIII Condensed matter: recurrent variational approach applied to the electronic structure of conjugated polymers, S. Pleutin, et al.
- effects of solvation for (R,R)-tartaric acid amides, M. Hoffmann, J. Rychlewski
- interpretation of vibrational spectra in electrochemical environments from first-principle calculations - computational strategies, M. Garcia-Hernandez, et al.
- excited states in metal oxides by configuration interaction and multireference perturbation theory, C. Sousa, et al.
- (Part contents).
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