Introducing Molecular Electronics

Introducing Molecular Electronics Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Introducing Molecular Electronics book. This book definitely worth reading, it is an incredibly well-written.

Molecular Electronics

Juan Carlos Cuevas,Elke Scheer
Molecular Electronics Book PDF

Author : Juan Carlos Cuevas,Elke Scheer
Publisher : World Scientific
Page : 724 pages
File Size : 42,9 Mb
Release : 2010
Category : Science
ISBN : 9789814282581

Get Book

Molecular Electronics by Juan Carlos Cuevas,Elke Scheer Pdf

This book provides a comprehensive overview of the rapidly developing field of molecular electronics. It focuses on our present understanding of the electrical conduction in single-molecule circuits and provides a thorough introduction to the experimental techniques and theoretical concepts. It will also constitute as the first textbook-like introduction to both the experiment and theory of electronic transport through single atoms and molecules. In this sense, this publication will prove invaluable to both researchers and students interested in the field of nanoelectronics and nanoscience in general. Molecular Electronics is self-contained and unified in its presentation. It may be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.

Molecular Electronics

Juan Carlos Cuevas,Elke Scheer
Molecular Electronics Book PDF

Author : Juan Carlos Cuevas,Elke Scheer
Publisher : World Scientific
Page : 724 pages
File Size : 54,9 Mb
Release : 2010
Category : Science
ISBN : 9789814282598

Get Book

Molecular Electronics by Juan Carlos Cuevas,Elke Scheer Pdf

1. The birth of molecular electronics. 1.1. Why molecular electronics?. 1.2. A brief history of molecular electronics. 1.3. Scope and structure of the book -- 2. Fabrication of metallic atomic-size contacts. 2.1. Introduction. 2.2. Techniques involving the scanning electron microscope (STM). 2.3. Methods using atomic force microscopes (AFM). 2.4. Contacts between macroscopic wires. 2.5. Transmission electron microscope. 2.6. Mechanically controllable break-junctions (MCBJ). 2.7. Electromigration technique. 2.8. Electrochemical methods. 2.9. Recent developments. 2.10. Electronic transport measurements. 2.11. Exercises -- 3. Contacting single molecules: Experimental techniques. 3.1. Introduction. 3.2. Molecules for molecular electronics. 3.3. Deposition of molecules. 3.4. Contacting single molecules. 3.5. Contacting molecular ensembles. 3.6. Exercises -- 4. The scattering approach to phase-coherent transport in nanocontacts. 4.1. Introduction. 4.2. From mesoscopic conductors to atomic-scale junctions. 4.3. Conductance is transmission : heuristic derivation of the Landauer formula. 4.4. Penetration of a potential barrier : tunnel effect. 4.5. The scattering matrix. 4.6. Multichannel Landauer formula. 4.7. Shot noise. 4.8. Thermal transport and thermoelectric phenomena. 4.9. Limitations of the scattering approach. 4.10. Exercises -- 5. Introduction to Green's function techniques for systems in equilibrium. 5.1. The Schrodinger and Heisenberg pictures. 5.2. Green's functions of a noninteracting electron system. 5.3. Application to tight-binding Hamiltonians. 5.4. Green's functions in time domain. 5.5. Exercises -- 6. Green's functions and Feynman diagrams. 6.1. The interaction picture. 6.2. The time-evolution operator. 6.3. Perturbative expansion of causal Green's functions. 6.4. Wick's theorem. 6.5. Feynman diagrams. 6.6. Feynman diagrams in energy space. 6.7. Electronic self-energy and Dyson's equation. 6.8. Self-consistent diagrammatic theory : the Hartree-Fock approximation. 6.9. The Anderson model and the Kondo effect. 6.10. Final remarks. 6.11. Exercises -- 7. Nonequilibrium Green's functions formalism. 7.1. The Keldysh formalism. 7.2. Diagrammatic expansion in the Keldysh formalism. 7.3. Basic relations and equations in the Keldysh formalism. 7.4. Application of Keldysh formalism to simple transport problems. 7.5. Exercises -- 8. Formulas of the electrical current : exploiting the Keldysh formalism. 8.1. Elastic current : microscopic derivation of the Landauer formula. 8.2. Current through an interacting atomic-scale junction. 8.3. Time-dependent transport in nanoscale junctions. 8.4. Exercises -- 9. Electronic structure I: Tight-binding approach. 9.1. Basics of the tight-binding approach. 9.2. The extended Huckel method. 9.3. Matrix elements in solid state approaches. 9.4. Slater-Koster two-center approximation. 9.5. Some illustrative examples. 9.6. The NRL tight-binding method. 9.7. The tight-binding approach in molecular electronics. 9.8. Exercises -- 10. Electronic structure II : density functional theory. 10.1. Elementary quantum mechanics. 10.2. Early density functional theories. 10.3. The Hohenberg-Kohn theorems. 10.4. The Kohn-Sham approach. 10.5. The exchange-correlation functionals. 10.6. The basic machinery of DFT. 10.7. DFT performance. 10.8. DFT in molecular electronics. 10.9. Exercises -- 11. The conductance of a single atom. 11.1. Landauer approach to conductance: brief reminder. 11.2. Conductance of atomic-scale contacts. 11.3. Conductance histograms. 11.4. Determining the conduction channels. 11.5. The chemical nature of the conduction channels of oneatom contacts. 11.6. Some further issues. 11.7. Conductance fluctuations. 11.8. Atomic chains : parity oscillations in the conductance. 11.9. Concluding remarks. 11.10. Exercises -- 12. Spin-dependent transport in ferromagnetic atomic contacts. 12.1. Conductance of ferromagnetic atomic contacts. 12.2. Magnetoresistance of ferromagnetic atomic contacts. 12.3. Anisotropic magnetoresistance in atomic contacts. 12.4. Concluding remarks and open problems -- 13. Coherent transport through molecular junctions I : basic concepts. 13.1. Identifying the transport mechanism in single-molecule junctions. 13.2. Some lessons from the resonant tunneling model. 13.3. A two-level model. 13.4. Length dependence of the conductance. 13.5. Role of conjugation in [symbol]-electron systems. 13.6. Fano resonances. 13.7. Negative differential resistance. 13.8. Final remarks. 13.9. Exercises -- 14. Coherent transport through molecular junctions II : test-bed molecules. 14.1. Coherent transport through some test-bed molecules. 14.2. Metal-molecule contact : the role of anchoring groups. 14.3. Tuning chemically the conductance : the role of side-groups. 14.4. Controlled STM-based single-molecule experiments. 14.5. Conclusions and open problems -- 15. Single-molecule transistors : Coulomb blockade and Kondo physics. 15.1. Introduction. 15.2. Charging effects in transport through nanoscale devices. 15.3. Single-molecule three-terminal devices. 15.4. Coulomb blockade theory : constant interaction model. 15.5. Towards a theory of Coulomb blockade in molecular transistors. 15.6. Intermediate coupling : cotunneling and Kondo effect. 15.7. Single-molecule transistors : experimental results. 15.8. Exercises -- 16. Vibrationally-induced inelastic current I : experiment. 16.1. Introduction. 16.2. Inelastic electron tunneling spectroscopy (IETS). 16.3. Highly conductive junctions : point-contact spectroscopy (PCS). 16.4. Crossover between PCS and IETS. 16.5. Resonant inelastic electron tunneling spectroscopy (RIETS). 16.6. Summary of vibrational signatures -- 17. Vibrationally-induced inelastic current II : theory. 17.1. Weak electron-phonon coupling regime. 17.2. Intermediate electron-phonon coupling regime. 17.3. Strong electron-phonon coupling regime. 17.4. Concluding remarks and open problems. 17.5. Exercises -- 18. The hopping regime and transport through DNA molecules. 18.1. Signatures of the hopping regime. 18.2. Hopping transport in molecular junctions : experimental examples. 18.3. DNA-based molecular junctions. 18.4. Exercises -- 19. Beyond electrical conductance : shot noise and thermal transport. 19.1. Shot noise in atomic and molecular junctions. 19.2. Heating and heat conduction. 19.3. Thermoelectricity in molecular junctions -- 20. Optical properties of current-carrying molecular junctions. 20.1. Surface-enhanced Raman spectroscopy of molecular junctions. 20.2. Transport mechanisms in irradiated molecular junctions. 20.3. Theory of photon-assisted tunneling. 20.4. Experiments on radiation-induced transport in atomic and molecular junctions. 20.5. Resonant current amplification and other transport phenomena in ac driven molecular junctions. 20.6. Fluorescence from current-carrying molecular junctions. 20.7. Molecular optoelectronic devices. 20.8. Final remarks. 20.9. Exercises -- 21. What is missing in this book?

Introducing Molecular Electronics

Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter
Introducing Molecular Electronics Book PDF

Author : Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter
Publisher : Springer
Page : 517 pages
File Size : 52,8 Mb
Release : 2006-05-21
Category : Science
ISBN : 9783540315148

Get Book

Introducing Molecular Electronics by Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter Pdf

Klaus von Klitzing Max-Planck-Institut fur ̈ Festk ̈ orperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany Already many Cassandras have prematurely announced the end of the silicon roadmap and yet, conventional semiconductor-based transistors have been continuously shrinking at a pace which has brought us to nowadays cheap and powerful microelectronics. However it is clear that the traditional scaling laws cannot be applied if unwanted tunnel phenomena or ballistic transport dominate the device properties. It is generally expected, that a combination of silicon CMOS devices with molecular structure will dominate the ?eld of nanoelectronics in 20 years. The visionary ideas of atomic- or molecular-scale electronics already date back thirty years but only recently advanced nanotechnology, including e.g. scanning tunneling methods and mechanically controllable break junctions, have enabled to make distinct progress in this direction. On the level of f- damentalresearch,stateofthearttechniquesallowtomanipulate,imageand probechargetransportthroughuni-molecularsystemsinanincreasinglyc- trolled way. Hence, molecular electronics is reaching a stage of trustable and reproducible experiments. This has lead to a variety of physical and chemical phenomena recently observed for charge currents owing through molecular junctions, posing new challenges to theory. As a result a still increasing n- ber of open questions determines the future agenda in this ?eld.

Molecular Electronics: An Introduction To Theory And Experiment (2nd Edition)

Elke Scheer,Juan Carlos Cuevas
Molecular Electronics An Introduction To Theory And Experiment 2nd Edition Book PDF

Author : Elke Scheer,Juan Carlos Cuevas
Publisher : World Scientific
Page : 846 pages
File Size : 41,7 Mb
Release : 2017-05-19
Category : Technology & Engineering
ISBN : 9789813226043

Get Book

Molecular Electronics: An Introduction To Theory And Experiment (2nd Edition) by Elke Scheer,Juan Carlos Cuevas Pdf

Molecular Electronics is self-contained and unified in its presentation. It can be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included in this new edition are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.

An Introduction to Molecular Electronics

Michael C. Petty,Martin R. Bryce,David Bloor
An Introduction to Molecular Electronics Book PDF

Author : Michael C. Petty,Martin R. Bryce,David Bloor
Publisher : Oxford University Press, USA
Page : 406 pages
File Size : 51,5 Mb
Release : 1995
Category : Molecular electronics
ISBN : UCSD:31822021261672

Get Book

An Introduction to Molecular Electronics by Michael C. Petty,Martin R. Bryce,David Bloor Pdf

Molecular electronics is concerned with making single crystals from a mass of transistors, diodes, and resisters. Present uses include liquid crystal displays and ferroelectric polymers in transducers, but the field is a growing one, with special topics courses on the subject being offered more and more widely all the time. This book provides an introduction to the subject that will be useful to advanced undergraduate and graduate students in a variety of disciplines, including materials science, physics, bioelectronics, electronic engineering, and biochemistry. Each chapter covers the fundamental principles of the topic, lists the key-references, and considers future developments.

Introducing Molecular Electronics

Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter
Introducing Molecular Electronics Book PDF

Author : Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter
Publisher : Springer
Page : 517 pages
File Size : 40,9 Mb
Release : 2009-09-02
Category : Science
ISBN : 3540813535

Get Book

Introducing Molecular Electronics by Gianaurelio Cuniberti,Giorgos Fagas,Klaus Richter Pdf

Klaus von Klitzing Max-Planck-Institut fur ̈ Festk ̈ orperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany Already many Cassandras have prematurely announced the end of the silicon roadmap and yet, conventional semiconductor-based transistors have been continuously shrinking at a pace which has brought us to nowadays cheap and powerful microelectronics. However it is clear that the traditional scaling laws cannot be applied if unwanted tunnel phenomena or ballistic transport dominate the device properties. It is generally expected, that a combination of silicon CMOS devices with molecular structure will dominate the ?eld of nanoelectronics in 20 years. The visionary ideas of atomic- or molecular-scale electronics already date back thirty years but only recently advanced nanotechnology, including e.g. scanning tunneling methods and mechanically controllable break junctions, have enabled to make distinct progress in this direction. On the level of f- damentalresearch,stateofthearttechniquesallowtomanipulate,imageand probechargetransportthroughuni-molecularsystemsinanincreasinglyc- trolled way. Hence, molecular electronics is reaching a stage of trustable and reproducible experiments. This has lead to a variety of physical and chemical phenomena recently observed for charge currents owing through molecular junctions, posing new challenges to theory. As a result a still increasing n- ber of open questions determines the future agenda in this ?eld.

Quantum Transport in Nanostructures and Molecules

Colin John Lambert
Quantum Transport in Nanostructures and Molecules Book PDF

Author : Colin John Lambert
Publisher : Unknown
Page : 0 pages
File Size : 52,5 Mb
Release : 2021
Category : Electron transport
ISBN : 0750336390

Get Book

Quantum Transport in Nanostructures and Molecules by Colin John Lambert Pdf

This reference text presents a conceptual framework for understanding room-temperature electron and phonon transport through molecules and other quantum objects. The flow of electricity through molecules is explained at the boundary of physics and chemistry, providing an authoritative introduction to molecular electronics for physicists, and quantum transport for chemists. Professor Lambert provides a pedagogical account of the fundamental concepts needed to understand quantum transport and thermoelectricity in molecular-scale and nanoscale structures. The material provides researchers and advanced students with an understanding of how quantum transport relates to other areas of materials modelling, condensed matter and computational chemistry. After reading the book, the reader will be familiar with the basic concepts of molecular-orbital theory and scattering theory, which underpin current theories of quantum transport.

Organic and Molecular Electronics

Michael C. Petty
Organic and Molecular Electronics Book PDF

Author : Michael C. Petty
Publisher : John Wiley & Sons
Page : 509 pages
File Size : 48,5 Mb
Release : 2019-01-04
Category : Technology & Engineering
ISBN : 9781118879283

Get Book

Organic and Molecular Electronics by Michael C. Petty Pdf

An introduction to the interdisciplinary subject of molecular electronics, revised and updated The revised second edition of Organic and Molecular Electronics offers a guide to the fabrication and application of a wide range of electronic devices based around organic materials and low-cost technologies. Since the publication of the first edition, organic electronics has greatly progressed, as evidenced by the myriad companies that have been established to explore the new possibilities. The text contains an introduction into the physics and chemistry of organic materials, and includes a discussion of the means to process the materials into a form (in most cases, a thin film) where they can be exploited in electronic and optoelectronic devices. The text covers the areas of application and potential application that range from chemical and biochemical sensors to plastic light emitting displays. The updated second edition reflects the recent progress in both organic and molecular electronics and: Offers an accessible resource for a wide range of readers Contains a comprehensive text that covers topics including electrical conductivity, optical phenomena, electroactive organic compounds, tools for molecular electronics and much more Includes illustrative examples based on the most recent research Presents problems at the end of each chapter to help reinforce key points Written mainly for engineering students, Organic and Molecular Electronics: From Principles to Practice provides an updated introduction to the interdisciplinary subjects of organic electronics and molecular electronics with detailed examples of applications.

Printed Organic and Molecular Electronics

Daniel R. Gamota,Paul Brazis,Krishna Kalyanasundaram,Jie Zhang
Printed Organic and Molecular Electronics Book PDF

Author : Daniel R. Gamota,Paul Brazis,Krishna Kalyanasundaram,Jie Zhang
Publisher : Springer Science & Business Media
Page : 712 pages
File Size : 42,6 Mb
Release : 2013-11-27
Category : Technology & Engineering
ISBN : 9781441990747

Get Book

Printed Organic and Molecular Electronics by Daniel R. Gamota,Paul Brazis,Krishna Kalyanasundaram,Jie Zhang Pdf

Printed Organic And Molecular Electronics was compiled to create a reference that included existing knowledge from the most renowned industry, academic, and government experts in the fields of organic semiconductor technology, graphic arts printing, micro-contact printing, and molecular electronics. It is divided into sections that consist of the most critical topics required for one to develop a strong understanding of the states of these technologies and the paths for taking them from R&D to the hands of consumers on a massive scale. As such, the book provides both theory as well as technology development results and trends.

Molecular-Scale Electronics

Xuefeng Guo,Dong Xiang,Yu Li
Molecular Scale Electronics Book PDF

Author : Xuefeng Guo,Dong Xiang,Yu Li
Publisher : John Wiley & Sons
Page : 408 pages
File Size : 44,5 Mb
Release : 2020-07-02
Category : Technology & Engineering
ISBN : 9783527818884

Get Book

Molecular-Scale Electronics by Xuefeng Guo,Dong Xiang,Yu Li Pdf

Provides in-depth knowledge on molecular electronics and emphasizes the techniques for designing molecular junctions with controlled functionalities This comprehensive book covers the major advances with the most general applicability in the field of molecular electronic devices. It emphasizes new insights into the development of efficient platform methodologies for building such reliable devices with desired functionalities through the combination of programmed bottom-up self-assembly and sophisticated top-down device fabrication. It also helps to develop an understanding of the device fabrication processes and the characteristics of the resulting electrode-molecule interface. Beginning with an introduction to the subject, Molecular-Scale Electronics: Concept, Fabrication and Applications offers full chapter coverage on topics such as: Metal Electrodes for Molecular Electronics; Carbon Electrodes for Molecular Electronics; Other Electrodes for Molecular Electronics; Novel Phenomena in Single-Molecule Junctions; and Supramolecular Interactions in Single-Molecule Junctions. Other chapters discuss Theoretical Aspects for Electron Transport through Molecular Junctions; Characterization Techniques for Molecular Electronics; and Integrating Molecular Functionalities into Electrical Circuits. The book finishes with a summary of the primary challenges facing the field and offers an outlook at its future. * Summarizes a number of different approaches for forming molecular-scale junctions and discusses various experimental techniques for examining these nanoscale circuits in detail * Gives overview of characterization techniques and theoretical simulations for molecular electronics * Highlights the major contributions and new concepts of integrating molecular functionalities into electrical circuits * Provides a critical discussion of limitations and main challenges that still exist for the development of molecular electronics * Suited for readers studying or doing research in the broad fields of Nano/molecular electronics and other device-related fields Molecular-Scale Electronics is an excellent book for materials scientists, electrochemists, electronics engineers, physical chemists, polymer chemists, and solid-state chemists. It will also benefit physicists, semiconductor physicists, engineering scientists, and surface chemists.

Charge and Exciton Transport through Molecular Wires

Laurens D. A. Siebbeles,Ferdinand C. Grozema
Charge and Exciton Transport through Molecular Wires Book PDF

Author : Laurens D. A. Siebbeles,Ferdinand C. Grozema
Publisher : John Wiley & Sons
Page : 293 pages
File Size : 48,8 Mb
Release : 2011-07-18
Category : Technology & Engineering
ISBN : 9783527633098

Get Book

Charge and Exciton Transport through Molecular Wires by Laurens D. A. Siebbeles,Ferdinand C. Grozema Pdf

As functional elements in opto-electronic devices approach the singlemolecule limit, conducting organic molecular wires are the appropriate interconnects that enable transport of charges and charge-like particles such as excitons within the device. Reproducible syntheses and a thorough understanding of the underlying principles are therefore indispensable for applications like even smaller transistors, molecular machines and light-harvesting materials. Bringing together experiment and theory to enable applications in real-life devices, this handbook and ready reference provides essential information on how to control and direct charge transport. Readers can therefore obtain a balanced view of charge and exciton transport, covering characterization techniques such as spectroscopy and current measurements together with quantitative models. Researchers are thus able to improve the performance of newly developed devices, while an additional overview of synthesis methods highlights ways of producing different organic wires. Written with the following market in mind: chemists, molecular physicists, materials scientists and electrical engineers.

Single-Molecule Electronics

Manabu Kiguchi
Single Molecule Electronics Book PDF

Author : Manabu Kiguchi
Publisher : Springer
Page : 235 pages
File Size : 43,6 Mb
Release : 2016-05-23
Category : Science
ISBN : 9789811007248

Get Book

Single-Molecule Electronics by Manabu Kiguchi Pdf

This book presents a multidisciplinary approach to single-molecule electronics. It includes a complete overview of the field, from the synthesis and design of molecular candidates to the prevalent experimental techniques, complemented by a detailed theoretical description. This all-inclusive strategy provides the reader with the much-needed perspective to fully understand the far-reaching ramifications of single-molecule electronics. In addition, a number of state-of-the-art topics are discussed, including single-molecule spectro-electrical methods, electrochemical DNA sequencing technology, and single-molecule chemical reactions. As a result of this integrative effort, this publication may be used as an introductory textbook to both graduate and advanced undergraduate students, as well as researchers with interests in single-molecule electronics, organic electronics, surface science, and nanoscience.

Molecular Nanoelectronics

Mark A. Reed,Takhee Lee
Molecular Nanoelectronics Book PDF

Author : Mark A. Reed,Takhee Lee
Publisher : Unknown
Page : 424 pages
File Size : 53,7 Mb
Release : 2003
Category : Science
ISBN : STANFORD:36105111949991

Get Book

Molecular Nanoelectronics by Mark A. Reed,Takhee Lee Pdf

And Perspective 225 -- Acknowledgments 225 -- R eferences 225 -- Chapter 9. NANOPARTICLES: BUILDING BLOCKS -- For Functional Nanostructures -- Corey Radloff, Cristin E. Moran, Joseph B. Jackson, Naomi J Halas -- 1. Introduction 229 -- 2. Building Blocks 230 -- 2.1. Nonmetallic Nanoparticles 230 -- 2.2. Semiconductor Nanocrystals 235 -- 2.3. M etal N anoparticles 241 -- 3. Assembly and Deposition Methods 244 -- 3.1. N anoshells 244 -- 3.2. Two- and Three-Dimensional Nanoparticle Assemblies 247 -- 3.3. Single-Particle Trapping and Manipulation 256 -- 4. A pplications 258 -- 4.1. Quantum Dot Corporation 258 -- 4.2. Nanospectra L.L.P 258 -- 4.3. SurroMed Incorporated 259 -- R eferences 259 -- Chapter 10. MOLECULAR- AND NANOCRYSTAL-BASED -- Photovoltaics -- Laura A. Swafford, Sandra J. Rosenthal -- 1. Introduction 263 -- 2. p-n Junction Silicon Solar Cells 264 -- 3. Photosynthesis: Nature's Solar Cell 266 -- 4. Molecular- and Nanomaterial-Based Photovoltaics 267 -- 4.1. Schottky Photodiodes 267 -- 4.2. Sandwich Heterojunction Photovoltaics 277 -- 4.3. Bulk Heterojunction Photovoltaics 279 -- 5. Future Photovoltaics 284 -- 6. Concluding Remarks 286 -- Appendix: Photovoltaic Efficiencies 286 -- A .1. Lighting Conditions 286 -- A.2. Calculating Photovoltaic Efficiencies 287 -- Acknowledgments 287 -- R eferences 287 -- Chapter 11. ORGANIC THIN FILM TRANSISTORS -- Hagen Klauk, Thomas N. Jackson -- 1. Introduction 291 -- 2. Pushing the Limits 296 -- 3. Device Architectures 297 -- 4. Flexible Substrate Technology 297 -- 5. Gate Dielectrics 299 -- 6. Low-Cost Proc.

Molecules and Radiation

Jeffrey I. Steinfeld
Molecules and Radiation Book PDF

Author : Jeffrey I. Steinfeld
Publisher : Courier Corporation
Page : 514 pages
File Size : 40,8 Mb
Release : 2012-11-09
Category : Science
ISBN : 9780486137544

Get Book

Molecules and Radiation by Jeffrey I. Steinfeld Pdf

This unified treatment introduces upper-level undergraduates and graduate students to the concepts and methods of modern molecular spectroscopy and their applications to quantum electronics, lasers, and related optical phenomena. Starting with a review of the prerequisite quantum mechanical background, the text examines atomic spectra and diatomic molecules, including the rotation and vibration of diatomic molecules and their electronic spectra. A discussion of rudimentary group theory advances to considerations of the rotational spectra of polyatomic molecules and their vibrational and electronic spectra; molecular beams, masers, and lasers; and a variety of forms of spectroscopy, including optical resonance spectroscopy, coherent transient spectroscopy, multiple-photon spectroscopy, and spectroscopy beyond molecular constants. The text concludes with a series of useful appendixes.

Molecular Electronic-Structure Theory

Trygve Helgaker,Poul Jorgensen,Jeppe Olsen
Molecular Electronic Structure Theory Book PDF

Author : Trygve Helgaker,Poul Jorgensen,Jeppe Olsen
Publisher : John Wiley & Sons
Page : 949 pages
File Size : 42,6 Mb
Release : 2014-08-11
Category : Science
ISBN : 9781119019558

Get Book

Molecular Electronic-Structure Theory by Trygve Helgaker,Poul Jorgensen,Jeppe Olsen Pdf

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.