Ideas of quantum chemistry /
Piela, Lucjan, 1943-
Ideas of quantum chemistry / by Lucjan Piela. - Second edition. - 1 online resource (xxxv, 1037 pages) : illustrations
Includes bibliographical references and indexes.
Chapter 1. The magic of quantum mechanics -- chapter 2. The Schrodinger equation -- chapter 3. Beyond the Schrodinger equation -- chapter 4. Exact solutions -- our beacons -- chapter 5. Two fundamental approximate methods -- chapter 6. Separation of electronic and nuclear motions -- chapter 7. Motion of nuclei -- chapter 8. Orbital model of electronic motion in atoms and molecules -- chapter 9. Orbital model of electronic motion in periodic systems -- chapter 10. Correlation of the electronic motions -- chapter 11. Chasing correlation dragon : density functional theory (DFT) -- chapter 12. The molecule subject to the electric or magnetic field -- chapter 13. Intermolecular interactions -- chapter 14. Chemical reactions -- chapter 15. Information processing -- the mission of chemistry.
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book. Presents the widest range of quantum chemical problems covered in one book Unique structure allows material to be tailored to the specific needs of the reader Informal language facilitates the understanding of difficult topics.
9780444594570 (electronic bk.) 0444594574 (electronic bk.) 9780444594365 (electronic bk.) 0444594361 (electronic bk.)
2013372278
Quantum chemistry.
Chimie quantique.
SCIENCE--Chemistry--Physical & Theoretical.
Quantum chemistry.
Quantenchemie
Electronic book.
Electronic books.
QD462
541.28
Ideas of quantum chemistry / by Lucjan Piela. - Second edition. - 1 online resource (xxxv, 1037 pages) : illustrations
Includes bibliographical references and indexes.
Chapter 1. The magic of quantum mechanics -- chapter 2. The Schrodinger equation -- chapter 3. Beyond the Schrodinger equation -- chapter 4. Exact solutions -- our beacons -- chapter 5. Two fundamental approximate methods -- chapter 6. Separation of electronic and nuclear motions -- chapter 7. Motion of nuclei -- chapter 8. Orbital model of electronic motion in atoms and molecules -- chapter 9. Orbital model of electronic motion in periodic systems -- chapter 10. Correlation of the electronic motions -- chapter 11. Chasing correlation dragon : density functional theory (DFT) -- chapter 12. The molecule subject to the electric or magnetic field -- chapter 13. Intermolecular interactions -- chapter 14. Chemical reactions -- chapter 15. Information processing -- the mission of chemistry.
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book. Presents the widest range of quantum chemical problems covered in one book Unique structure allows material to be tailored to the specific needs of the reader Informal language facilitates the understanding of difficult topics.
9780444594570 (electronic bk.) 0444594574 (electronic bk.) 9780444594365 (electronic bk.) 0444594361 (electronic bk.)
2013372278
Quantum chemistry.
Chimie quantique.
SCIENCE--Chemistry--Physical & Theoretical.
Quantum chemistry.
Quantenchemie
Electronic book.
Electronic books.
QD462
541.28