Articles liés à Quantum Mechanical Electronic Structure Calculations...
Synopsis
The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that "the underlying physicallaws ... for the whole ofchemistryare ... completely known" (1), thenit shouldbepossible, atleastinprinciple, topredict theresults of experiment moreaccurately than they canbe measured. Ifthe theoreticalchemist could obtain exact solutions ofthe Schrodinger equation for many-body systems, then the experimental chemist would soon become accustomed to judging the success ofan experimental measurement by how well it agrees with a theoretical prediction. In fact, it is now possible to obtainexact solutions ofthe Schrodinger equation for systems ofa few electrons(2-8). These systems include the molecular ion Ht, the molecule H, the reaction intermediate H-H-H, the unstable pair H-He, the 2 stable dimer He2' and the trimer He3. The quantum Monte Carlo method used in solving the time-independent Schrodinger equation for these systems is exact in that it requires no physical or mathematical assumptions beyond those of the Schrodinger equation. As in most Monte Carlo methods there is a statistical or sampling error which is readily estimated.
Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.
Acheter neuf
Afficher cet article
EUR 96,29
EUR 11 expédition depuis Allemagne vers France
Destinations, frais et délaisAutres éditions populaires du même titre
Résultats de recherche pour Quantum Mechanical Electronic Structure Calculations...
Image fournie par le vendeur
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Edité par
Springer Netherlands Okt 2012, 2012
ISBN 10 : 9401040877
ISBN 13 : 9789401040877
Neuf
Taschenbuch
Vendeur : BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that 'the underlying physicallaws . for the whole ofchemistryare . completely known' (1), thenit shouldbepossible,atleastinprinciple, topredict theresults of experiment moreaccurately than they canbe measured. Ifthe theoreticalchemist could obtain exact solutions ofthe Schrodinger equation for many-body systems, then the experimental chemist would soon become accustomed to judging the success ofan experimental measurement by how well it agrees with a theoretical prediction. In fact, it is now possible to obtainexact solutions ofthe Schrodinger equation for systems ofa few electrons(2-8). These systems include the molecular ion Ht, the molecule H , the reaction intermediate H-H-H, the unstable pair H-He, the 2 stable dimer He2' and the trimer He3. The quantum Monte Carlo method used in solving the time-independent Schrodinger equation for these systems is exact in that it requires no physical or mathematical assumptions beyond those of the Schrodinger equation. As in most Monte Carlo methods there is a statistical or sampling error which is readily estimated. 460 pp. Englisch. N° de réf. du vendeur 9789401040877
Quantité disponible : 2 disponible(s)
Image fournie par le vendeur
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Edité par
Springer Netherlands, 2012
ISBN 10 : 9401040877
ISBN 13 : 9789401040877
Neuf
Couverture souple
Vendeur : moluna, Greven, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Exact Quantum Chemistry by Monte Carlo Methods J.B. Anderson. Achieving Chemical Accuracy with Coupled-Cluster Theory T.J. Lee, G.E. Scuseria. Magnetic Hyperfine Coupling Constants in Free Radicals D.M. Chipman. Calculation of Accurate Bond Energies,. N° de réf. du vendeur 5830882
Quantité disponible : Plus de 20 disponibles
Image fournie par le vendeur
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Edité par
Springer Netherlands, Springer Netherlands Okt 2012, 2012
ISBN 10 : 9401040877
ISBN 13 : 9789401040877
Neuf
Taschenbuch
Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that 'the underlying physicallaws . for the whole ofchemistryare . completely known' (1), thenit shouldbepossible,atleastinprinciple, topredict theresults of experiment moreaccurately than they canbe measured. Ifthe theoreticalchemist could obtain exact solutions ofthe Schrodinger equation for many-body systems, then the experimental chemist would soon become accustomed to judging the success ofan experimental measurement by how well it agrees with a theoretical prediction. In fact, it is now possible to obtainexact solutions ofthe Schrodinger equation for systems ofa few electrons(2-8). These systems include the molecular ion Ht, the molecule H , the reaction intermediate H-H-H, the unstable pair H-He, the 2 stable dimer He2' and the trimer He3. The quantum Monte Carlo method used in solving the time-independent Schrodinger equation for these systems is exact in that it requires no physical or mathematical assumptions beyond those of the Schrodinger equation. As in most Monte Carlo methods there is a statistical or sampling error which is readily estimated.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 460 pp. Englisch. N° de réf. du vendeur 9789401040877
Quantité disponible : 1 disponible(s)
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)
Vendeur : Ria Christie Collections, Uxbridge, Royaume-Uni
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. In. N° de réf. du vendeur ria9789401040877_new
Quantité disponible : Plus de 20 disponibles
Image fournie par le vendeur
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Edité par
Springer Netherlands, Springer Netherlands, 2012
ISBN 10 : 9401040877
ISBN 13 : 9789401040877
Neuf
Taschenbuch
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that 'the underlying physicallaws . for the whole ofchemistryare . completely known' (1), thenit shouldbepossible,atleastinprinciple, topredict theresults of experiment moreaccurately than they canbe measured. Ifthe theoreticalchemist could obtain exact solutions ofthe Schrodinger equation for many-body systems, then the experimental chemist would soon become accustomed to judging the success ofan experimental measurement by how well it agrees with a theoretical prediction. In fact, it is now possible to obtainexact solutions ofthe Schrodinger equation for systems ofa few electrons(2-8). These systems include the molecular ion Ht, the molecule H , the reaction intermediate H-H-H, the unstable pair H-He, the 2 stable dimer He2' and the trimer He3. The quantum Monte Carlo method used in solving the time-independent Schrodinger equation for these systems is exact in that it requires no physical or mathematical assumptions beyond those of the Schrodinger equation. As in most Monte Carlo methods there is a statistical or sampling error which is readily estimated. N° de réf. du vendeur 9789401040877
Quantité disponible : 1 disponible(s)
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)
Vendeur : California Books, Miami, FL, Etats-Unis
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. N° de réf. du vendeur I-9789401040877
Quantité disponible : Plus de 20 disponibles
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Vendeur : Books Puddle, New York, NY, Etats-Unis
Évaluation du vendeur 4 sur 5 étoiles
Etat : New. pp. v + 449 Softcover Reprint of the Original 1st Edition 1995. N° de réf. du vendeur 2648029182
Quantité disponible : 4 disponible(s)
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)
Vendeur : Lucky's Textbooks, Dallas, TX, Etats-Unis
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. N° de réf. du vendeur ABLIING23Apr0412070054295
Quantité disponible : Plus de 20 disponibles
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
impression à la demandeVendeur : Majestic Books, Hounslow, Royaume-Uni
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. Print on Demand pp. v + 449. N° de réf. du vendeur 44786209
Quantité disponible : 4 disponible(s)
Image d'archives
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
impression à la demandeVendeur : Biblios, Frankfurt am main, HESSE, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. PRINT ON DEMAND pp. v + 449. N° de réf. du vendeur 1848029172
Quantité disponible : 4 disponible(s)