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Synopsis
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.
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY (World Scientific Series in Contemporary Chemical Physics, 5)
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World Scientific Pub Co Inc, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Edité par
World Scientific Pub Co Inc, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Edité par
World Scientific Pub Co Inc, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY (Hardcover)
Edité par
World Scientific Publishing Co Pte Ltd, Singapore, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
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Hardcover. Etat : 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. N° de réf. du vendeur 9789810226114
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY
Edité par
World Scientific Pub Co Inc, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
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Computational Methods in Quantum Chemistry: Quantum Chemistry: Vol 2
Edité par
World Scientific Pub Co Inc, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
Vendeur : Revaluation Books, Exeter, Royaume-Uni
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Hardcover. Etat : Brand New. 241 pages. 9.00x6.00x0.75 inches. In Stock. N° de réf. du vendeur x-981022611X
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Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry
Edité par
WORLD SCIENTIFIC PUB CO INC, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
Vendeur : moluna, Greven, Allemagne
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Etat : 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 . N° de réf. du vendeur 909655375
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COMPUTATIONAL METHODS IN QUANTUM. (V5)
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World Scientific Publishing Co Pte Ltd Jul 1996, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
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Buch. Etat : Neu. Neuware - 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, Xa; 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. N° de réf. du vendeur 9789810226114
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Computational Methods in Quantum Chemistry, Volume 2: Quantum Chemistry
Edité par
World Scientific Publishing Company, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Ancien ou d'occasion
Couverture rigide
Vendeur : Buchpark, Trebbin, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Etat : 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. N° de réf. du vendeur 26854011/2
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COMPUTATIONAL METHODS IN QUANTUM CHEMISTRY, VOLUME 2: QUANTUM CHEMISTRY (Hardcover)
Edité par
World Scientific Publishing Co Pte Ltd, Singapore, 1996
ISBN 10 : 981022611X
ISBN 13 : 9789810226114
Neuf
Couverture rigide
Vendeur : AussieBookSeller, Truganina, VIC, Australie
Évaluation du vendeur 5 sur 5 étoiles
Hardcover. Etat : 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 our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. N° de réf. du vendeur 9789810226114
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