New trends in quantum systems in chemistry and physics : Paris, France, 1999 / ed. by Jean Maruani .̤ ; Vol. 2: Advanced problems and complex systems (Englisch)
- Neue Suche nach: European Workshop on Quantum Systems in Chemistry and Physics
- Weitere Informationen zu European Workshop on Quantum Systems in Chemistry and Physics:
- http://d-nb.info/gnd/6028921-1
- Neue Suche nach: Maruani, Jean
- Neue Suche nach: European Workshop on Quantum Systems in Chemistry and Physics
- Weitere Informationen zu European Workshop on Quantum Systems in Chemistry and Physics:
- http://d-nb.info/gnd/6028921-1
2001
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ISBN:
- Konferenzband / Print
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Titel:New trends in quantum systems in chemistry and physics : Paris, France, 1999 / ed. by Jean Maruani .̤ ; Vol. 2: Advanced problems and complex systems
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Beteiligte:
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Kongress:European Workshop on Quantum Systems in Chemistry and Physics ; 4 ; 1999 ; Marly-le-Roi
QSCP ; 4 ; 1999 ; Marly-le-Roi -
Erschienen in:
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Verlag:
- Neue Suche nach: Kluwer Academic Publishers
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Erscheinungsort:Dordrecht [u.a.]
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Erscheinungsdatum:2001
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Format / Umfang:X,312 S
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Anmerkungen:graph. Darst
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ISBN:
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Medientyp:Konferenzband
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Format:Print
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Sprache:Englisch
- Neue Suche nach: 35.11 / 33.23
- Weitere Informationen zu Basisklassifikation
- Neue Suche nach: 541.2/8
- Weitere Informationen zu Dewey Decimal Classification
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis Konferenzband
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 3
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On gauge invariance and molecular electrodynamicsWoolley, R. G. et al. | 2001
- 3
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Are exact Kohn-Sham potentials equivalent to local functions?Nesbet, R. K. / Colle, R. et al. | 2001
- 13
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Theory of exact exchange relations for a single excited stateNagy, A. et al. | 2001
- 23
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Quantum mechanics of electro-nuclear systems - Towards a theory of chemical reactionsTapia, O. et al. | 2001
- 25
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Correlation energy contributions from low-lying states to density functionals in the KLI approximationGutle, C. / Savin, A. / Krieger, J. B. et al. | 2001
- 45
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Orbital local-scaling transformation approach: fermionic systems in the ground stateDelchev, Y. I. / Kuleff, A. I. / Yotov, P. T. / Maruani, J. / Pavlov, R. L. et al. | 2001
- 49
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Theoretical study of regularities in atomic and molecular spectral propertiesMartin, I. / Lavin, C. / Charro, E. et al. | 2001
- 63
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Reduced density matrix treatment of spin-orbit interaction terms in many-electron systemsPavlov, R. L. / Kuleff, A. I. / Yotov, P. T. / Maruani, J. / Delchev, Y. I. et al. | 2001
- 65
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Excited states of hydrogen peroxide: an overviewMukherjee, P. K. / Senent, M. L. / Smeyers, Y. G. et al. | 2001
- 77
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Many-electron Sturmians applied to atoms and ions in strong external fieldsAvery, J. / Coletti, C. et al. | 2001
- 85
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On electron dynamics in violent cluster excitationsReinhard, P. G. / Suraud, E. et al. | 2001
- 95
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An implementation of the configuration-selecting multireference configuration-interaction method on massively parallel architecturesStampfuss, P. / Wenzel, W. et al. | 2001
- 107
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Relativistic effects in non-linear atom-laser interactions at ultrahigh intensitiesVeniard, V. / Taieb, R. / Szymanowski, C. / Maquet, A. et al. | 2001
- 115
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Comments on the basis sets used in recent studies of electron correlation in small moleculesWilson, S. / Moncrieff, D. / Kobus, J. et al. | 2001
- 121
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Semiclassical close-coupling description of electron transfer in multicharged ion-atom collisionsCaillat, J. / Dubois, A. / Hansen, J. P. et al. | 2001
- 133
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Single and double electron capture in boron collision systemsBacchus-Montabonel, M. C. / Honvault, P. et al. | 2001
- 135
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Relativistic quantum mechanics of atoms and moleculesQuiney, H. M. et al. | 2001
- 143
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Theoretical study of the interaction of carbon dioxide with Sc, Ti, Ni, and Cu atomsMele, F. / Russo, N. / Toscano, M. / Illas, F. et al. | 2001
- 169
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Recurrent variational approach applied to the electronic structure of conjugated polymersPleutin, S. / Jeckelmann, E. / Martin-Delgado, M. A. / Sierra, G. et al. | 2001
- 175
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Variational principle in the Dirac theory: spurious solutions, unexpected extrema and other trapsStanke, M. / Karwowski, J. et al. | 2001
- 189
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Effects of solvation for (R,R) tartaric-acid amidesHoffmann, M. / Rychlewski, J. et al. | 2001
- 191
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Relativistic multireference many-body perturbation theoryVilkas, M. J. / Koc, K. / Ishikawa, Y. et al. | 2001
- 211
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Interpretation of vibrational spectra in electrochemical environments from first-principle calculations: computational strategiesGarcia-Hernandez, M. / Markovits, A. / Clotet, A. / Ricart, J. M. / Illas, F. et al. | 2001
- 219
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Relativistic valence-bond theory and its application to metastable Xe2Kotochigova, S. / Tiesinga, E. / Tupitsyn, I. et al. | 2001
- 227
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Excited states in metal oxides by configuration interaction and multi-reference perturbation theorySousa, C. / de Graaf, C. / Illas, F. / Pacchioni, G. et al. | 2001
- 243
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Relativistic quantum chemistry of superheavy transactinide elementsMalli, G. L. et al. | 2001
- 247
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Electrostatic effects in the heterolytic dissociation of hydrogen at magnesium oxidePisani, C. / D Ercole, A. et al. | 2001
- 257
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A DFT study of CO adsorption on Ni^I^I ions 3-fold coordinated to silicaCosta, D. / Kermarec, M. / Che, M. / Martra, G. / Girard, Y. / Chaquin, P. et al. | 2001
- 259
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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)Berski, S. / Silvi, B. / Lundell, J. / Noury, S. / Latajka, Z. et al. | 2001
- 269
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A theoretical study of structure and reactivity of titanium chloridesMartinsky, C. / Minot, C. et al. | 2001
- 281
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Symmetry-separated (sigma+pi) vs bent-bond (Omega) models of first-row transition-metal methylene cationsOgliaro, F. / Loades, S. D. / Cooper, D. L. / Karadakov, P. B. et al. | 2001
- 289
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Phenomenological description of D-wave condensates in high-T~c superconducting cupratesBrandas, E. / Dunne, L. J. / Murrell, J. N. et al. | 2001
- 313
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Hartree-Fock study of hydrogen-bonded systems in the absence of basis-set superposition error: the nucleic-acid base pairsFamulari, A. / Sironi, M. / Gianinetti, E. / Raimondi, M. et al. | 2001
- 335
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Proton transfer and non-dynamical correlation energy in model molecular systemsChojnacki, H. et al. | 2001
- 347
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Large amplitude motions in electronically excited states: a study of the S~1 excited state of formic acidBeaty-Travis, L. M. / Moule, D. C. / Munoz-Caro, C. / Nino, A. et al. | 2001
- 359
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Ab-initio harmonic analysis of large-amplitude motions in ethanol dimersSenent, M. L. / Smeyers, Y. G. / Dominguez-Gomez, R. et al. | 2001
- 375
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Vibrational first hyperpolarizability of methane and its fluorinated analogsQuinet, O. / Champagne, B. et al. | 2001
- 393
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Staggering effects in nuclear and molecular spectraBonatsos, D. / Karoussos, N. / Daskaloyannis, C. / Drenska, S. B. / Minkov, N. / Raychev, P. P. / Roussev, R. P. / Maruani, J. et al. | 2001