Verwandte Artikel zu Computational Methods in Quantum Chemistry: Quantum...
Computational Methods in Quantum Chemistry: Quantum Chemistry (2) (World Scientific Series in Contemporary Chemical Physics, 5, Band 2) - Hardcover
Inhaltsangabe
This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods.Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one thereafter in a logically consistent way that should be accessible to undergraduates. These include LCAO, Hartree-Fock-SCF method for molecules, Roothaan LCAO-MO-SCF method, and electron correlation energy.Chapter 4 is devoted to the more sophisticated computational methods in quantum chemistry, with an introduction to topics that include: the zero differential overlap approximation; Huckel MO theory of conjugated molecules; Pariser-Parr-Pople MO method; extended Huckel theory; neglect of differential overlap methods; invariance in space requirements; CNDO; INDO; NDDO; MINDO; MNDO; AM1; MNDO-PM3; SAM1; SINDO1; CNDO/S; PCILO, Xα; and ab initio methods.This is followed by an introduction to Moller-Plesset perturbation theory of many electrons, and coupled perturbed Hartree Fock theory, with a description of the coupled cluster method. Finally Chapter 5 applies these methods to problems of contemporary interest.The book is designed to be a junior/senior level text in computational quantum mechanics, suitable for undergraduates and graduates in chemistry, physics, computer science, and associated disciplines.
Die Inhaltsangabe kann sich auf eine andere Ausgabe dieses Titels beziehen.
Suchergebnisse für Computational Methods in Quantum Chemistry: Quantum...
Foto des Verkäufers
COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY (World Scientific Series in Contemporary Chemical Physics, 5)
Verlag:
World Scientific Pub Co Inc, 1996
ISBN 10: 981022611X
ISBN 13: 9789810226114
Gebraucht
Hardcover
Anbieter: -OnTimeBooks-, Phoenix, AZ, USA
Verkäuferbewertung 5 von 5 Sternen
Zustand: good. A copy that has been read, remains in good condition. All pages are intact, and the cover is intact. The spine and cover show signs of wear. Pages can include notes and highlighting and show signs of wear, and the copy can include "From the library of" labels or previous owner inscriptions. 100% GUARANTEE! Shipped with delivery confirmation, if you're not satisfied with purchase please return item! Ships via media mail. Bestandsnummer des Verkäufers OTV.981022611X.G
Gebraucht kaufen
EUR 35,32
Versand gratis
Versand innerhalb von USA
Versand innerhalb von USA
Anzahl: 1 verfügbar
Beispielbild für diese ISBN
COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Anbieter: Basi6 International, Irving, TX, USA
Verkäuferbewertung 5 von 5 Sternen
Zustand: Brand New. New. US edition. Expediting shipping for all USA and Europe orders excluding PO Box. Excellent Customer Service. Bestandsnummer des Verkäufers ABEOCT25-388606
Beispielbild für diese ISBN
COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Anbieter: Romtrade Corp., STERLING HEIGHTS, MI, USA
Verkäuferbewertung 5 von 5 Sternen
Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide. Bestandsnummer des Verkäufers ABBB-265277
Beispielbild für diese ISBN
COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY (Hardcover)
Verlag:
World Scientific Publishing Co Pte Ltd, Singapore, 1996
ISBN 10: 981022611X
ISBN 13: 9789810226114
Neu
Hardcover
Anbieter: Grand Eagle Retail, Bensenville, IL, USA
Verkäuferbewertung 5 von 5 Sternen
Hardcover. Zustand: new. Hardcover. This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods. Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one thereafter in a logically consistent way that should be accessible to undergraduates. These include LCAO, Hartree-Fock-SCF method for molecules, Roothaan LCAO-MO-SCF and electron correlation energy. Chapter 4 is devoted to the more sophisticated computational methods in quantum chemistry, with an introduction to topics that include: the zero differential overlap approximation; Huckel MO theory of conjugated molecules; Pariser-Parr-Pople MO method; extended Huckel theory; neglect of differential overlap methods; invariance in space requirements; CNDO; INDO; NDDO; MINDO; MNDO; AMNDO; AM1; MNDO-PM3; SINDO1; CNDI/S; INDO-CI; and ab initio. This is followed by an introduction to Moller-Plesset peturbation theory of many electrons, and coupled perturbed Hatree-Fock theory, with a description of the coupled cluster method. Finally, chapter 5 applies these methods to problems of contemporary interest. The book is designed to be a junior/senior level text in computational quantum mechanics, suitable for undergraduates and graduates in chemistry, physics, computer science and associated disciplines." An account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation with variation and perturbation methods. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. Bestandsnummer des Verkäufers 9789810226114
Beispielbild für diese ISBN
COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Anbieter: SMASS Sellers, IRVING, TX, USA
Verkäuferbewertung 4 von 5 Sternen
Zustand: New. Brand New Original US Edition. Customer service! Satisfaction Guaranteed. Bestandsnummer des Verkäufers SNTNB-265277
Beispielbild für diese ISBN
Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry (Volume 5)
Anbieter: Kennys Bookshop and Art Galleries Ltd., Galway, GY, Irland
Verkäuferbewertung 5 von 5 Sternen
Zustand: New. An account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation with variation and perturbation methods. Series: World Scientific Series in Contemporary Chemical Physics. Num Pages: 256 pages, references. BIC Classification: PDE; PHQ; PNRP; UYAM. Category: (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. . . 1996. hardcover. . . . . Bestandsnummer des Verkäufers V9789810226114
Neu kaufen
EUR 91,35
EUR 9,50 Versand
Versand von Irland nach USA
Versand von Irland nach USA
Anzahl: 10 verfügbar
Beispielbild für diese ISBN
Computational Methods in Quantum Chemistry: Quantum Chemistry: Vol 2
Anbieter: Revaluation Books, Exeter, Vereinigtes Königreich
Verkäuferbewertung 5 von 5 Sternen
Hardcover. Zustand: Brand New. 241 pages. 9.00x6.00x0.75 inches. In Stock. Bestandsnummer des Verkäufers x-981022611X
Neu kaufen
EUR 102,53
EUR 14,96 Versand
Versand von Vereinigtes Königreich nach USA
Versand von Vereinigtes Königreich nach USA
Anzahl: 1 verfügbar
Beispielbild für diese ISBN
Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry (Volume 5)
Anbieter: Kennys Bookstore, Olney, MD, USA
Verkäuferbewertung 4 von 5 Sternen
Zustand: New. An account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation with variation and perturbation methods. Series: World Scientific Series in Contemporary Chemical Physics. Num Pages: 256 pages, references. BIC Classification: PDE; PHQ; PNRP; UYAM. Category: (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. . . 1996. hardcover. . . . . Books ship from the US and Ireland. Bestandsnummer des Verkäufers V9789810226114
Neu kaufen
EUR 113,86
EUR 9,46 Versand
Versand innerhalb von USA
Versand innerhalb von USA
Anzahl: 10 verfügbar
Foto des Verkäufers
Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry
Anbieter: moluna, Greven, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Zustand: New. KlappentextrnrnAn account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates the Hamiltonian and angular momentum operators and approximation of the solutions of . Bestandsnummer des Verkäufers 909655375
Neu kaufen
EUR 85,41
EUR 48,99 Versand
Versand von Deutschland nach USA
Versand von Deutschland nach USA
Anzahl: 1 verfügbar
Beispielbild für diese ISBN
Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry
Verlag:
World Scientific Publishing Company, 1996
ISBN 10: 981022611X
ISBN 13: 9789810226114
Gebraucht
Hardcover
Anbieter: Buchpark, Trebbin, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Zustand: Sehr gut. Zustand: Sehr gut | Seiten: 256 | Sprache: Englisch | Produktart: Bücher | This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods.Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one thereafter in a logically consistent way that should be accessible to undergraduates. These include LCAO, Hartree-Fock-SCF method for molecules, Roothaan LCAO-MO-SCF method, and electron correlation energy.Chapter 4 is devoted to the more sophisticated computational methods in quantum chemistry, with an introduction to topics that include: the zero differential overlap approximation; Huckel MO theory of conjugated molecules; Pariser-Parr-Pople MO method; extended Huckel theory; neglect of differential overlap methods; invariance in space requirements; CNDO; INDO; NDDO; MINDO; MNDO; AM1; MNDO-PM3; SAM1; SINDO1; CNDO/S; PCILO, Xα; and ab initio methods.This is followed by an introduction to Moller-Plesset perturbation theory of many electrons, and coupled perturbed Hartree Fock theory, with a description of the coupled cluster method. Finally Chapter 5 applies these methods to problems of contemporary interest.The book is designed to be a junior/senior level text in computational quantum mechanics, suitable for undergraduates and graduates in chemistry, physics, computer science, and associated disciplines. Bestandsnummer des Verkäufers 26854011/2
Gebraucht kaufen
EUR 40,50
EUR 105,00 Versand
Versand von Deutschland nach USA
Versand von Deutschland nach USA
Anzahl: 1 verfügbar