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Publicado por John Wiley and Sons Inc, US, 2016
ISBN 10: 0470633468 ISBN 13: 9780470633465
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Añadir al carritoHardback. Condición: New. The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
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Añadir al carritoCondición: New. The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Num Pages: 300 pages. BIC Classification: PNRP. Category: (P) Professional & Vocational. Dimension: 250 x 150. . . 2016. 1st Edition. Hardcover. . . . . Books ship from the US and Ireland.
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Añadir al carritoCondición: New. pp. 436.
Idioma: Inglés
Publicado por John Wiley and Sons Inc, US, 2016
ISBN 10: 0470633468 ISBN 13: 9780470633465
Librería: Rarewaves.com UK, London, Reino Unido
EUR 127,96
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Añadir al carritoHardback. Condición: New. The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
Idioma: Inglés
Publicado por Springer Berlin Heidelberg, 1994
ISBN 10: 3540586202 ISBN 13: 9783540586203
Librería: AHA-BUCH GmbH, Einbeck, Alemania
EUR 139,09
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Añadir al carritoTaschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 - Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.
Idioma: Inglés
Publicado por Springer Berlin Heidelberg, Springer Berlin Heidelberg Nov 1994, 1994
ISBN 10: 3540586202 ISBN 13: 9783540586203
Librería: buchversandmimpf2000, Emtmannsberg, BAYE, Alemania
EUR 139,09
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Añadir al carritoTaschenbuch. Condición: Neu. Neuware -The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 ¿ Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 356 pp. Englisch.
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Añadir al carritoCondición: Sehr gut. Zustand: Sehr gut | Seiten: 356 | Sprache: Englisch | Produktart: Bücher | Keine Beschreibung verfügbar.
Idioma: Inglés
Publicado por Springer Berlin Heidelberg, Springer Berlin Heidelberg, 1992
ISBN 10: 3540553711 ISBN 13: 9783540553717
Librería: AHA-BUCH GmbH, Einbeck, Alemania
EUR 149,79
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Añadir al carritoTaschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 'Quantum Chemistry' is the course material of a EuropeanSummer School in Quantum Chemistry, organized by Bj|rn O.Roos. It consists of lectures by outstanding scientists whoparticipate in the education of students and youngscientists. The book has a wider appeal as additionalreading for University courses.Contents:P.-A. Malmquist: Mathematical Tools in Quantum ChemistryJ. Olsen: The Method of Second QuantizationP.R. Taylor: Molecular Symmetry and Quantum ChemistryB.O. Roos: The Multiconfigurational (MC) Self-ConsistentField (SCF) TheoryP.E.M. Siegbahn: The Configuration Interaction MethodT. Helgaker: Optimization of Minima and Saddle PointsP.R. Taylor: Accurate Calculations and CalibrationU. Wahlgren: Effective Core Potential Method.
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Añadir al carritoPaperback. Condición: Brand New. 421 pages. 9.50x6.75x1.00 inches. In Stock.
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Idioma: Inglés
Publicado por Springer Berlin Heidelberg Mai 1992, 1992
ISBN 10: 3540553711 ISBN 13: 9783540553717
Librería: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Alemania
EUR 85,55
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Añadir al carritoTaschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -'Quantum Chemistry' is the course material of a EuropeanSummer School in Quantum Chemistry, organized by Bj|rn O.Roos. It consists of lectures by outstanding scientists whoparticipate in the education of students and youngscientists. The book has a wider appeal as additionalreading for University courses.Contents:P.-A. Malmquist: Mathematical Tools in Quantum ChemistryJ. Olsen: The Method of Second QuantizationP.R. Taylor: Molecular Symmetry and Quantum ChemistryB.O. Roos: The Multiconfigurational (MC) Self-ConsistentField (SCF) TheoryP.E.M. Siegbahn: The Configuration Interaction MethodT. Helgaker: Optimization of Minima and Saddle PointsP.R. Taylor: Accurate Calculations and CalibrationU. Wahlgren: Effective Core Potential Method 436 pp. Englisch.
Idioma: Inglés
Publicado por Springer Berlin Heidelberg Nov 1994, 1994
ISBN 10: 3540586202 ISBN 13: 9783540586203
Librería: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Alemania
EUR 139,09
Cantidad disponible: 2 disponibles
Añadir al carritoTaschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 - Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction. 356 pp. Englisch.