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Author: Leticia González
Publisher: John Wiley & Sons
ISBN: 1119417759
Category : Science
Languages : en
Pages : 52
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Book Description
An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Author: Leticia González
Publisher: John Wiley & Sons
ISBN: 1119417759
Category : Science
Languages : en
Pages : 52
Get Book Here
Book Description
An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Author: Helene Lefebvre-Brion
Publisher: Elsevier
ISBN: 0080517501
Category : Science
Languages : en
Pages : 797
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Book Description
This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's cases), construction of effective Hamiltonian matrices to represent both spectra and dynamics, terms neglected in the Born-Oppenheimer approximation (situations intermediate between Hund's cases, spectroscopic perturbations), nonlinear least squares fitting, calculation and interpretation of coupling terms, semi-classical (WKB) approximation, transition intensities and interference effects, direct photofragmentation (dissociation and ionization) and indirect photofragmentation (predissociation and autoionization) processes, visualization of intramolecular dynamics, quantum beats and wavepackets, treatment of decaying quasi-eigenstates using a complex Heff model, and concluding with some examples of polyatomic molecule dynamics. Students will discover that there is a fascinating world of cause-and-effect localized dynamics concealed beyond the reduction of spectra to archival molecular constants and the exact ab initio computation of molecular properties. Professional spectroscopists, kinetics, ab initio theorists will appreciate the practical, simplified-model, and rigorous theoretical approaches discussed in this book. - A fundamental reference for all spectra of small, gas-phase molecules - It is the most up-to-date and comprehensive book on the electronic spectroscopy and dynamics of diatomic molecules - The authors pioneered the development of many of the experimental methods, concepts, models, and computational schemes described in this book
Author: Wolfgang Domcke
Publisher: World Scientific
ISBN: 9812386726
Category : Science
Languages : en
Pages : 857
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Book Description
This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.
Author: David C. Cassidy
Publisher: Plunkett Lake Press
ISBN:
Category : Biography & Autobiography
Languages : en
Pages : 398
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Book Description
Born into a wealthy, secular New York Jewish family, a student of the Ethical Culture School in New York, later educated in theoretical physics at Harvard, Cambridge (UK) and Göttingen (Germany), appointed professor at UC-Berkeley and Caltech, J. Robert Oppenheimer (1904-1967) was on the forefront of the rise of theoretical physics in the United States to world-class status, contributing to the century-altering success of the Manhattan Project to build the atomic bomb. As the scientific leader of that project, Oppenheimer played a key advisory role in government, helping to forge the post-war military-industrial-scientific alliance that poured huge resources into post-war “big science.” Because of his position, Oppenheimer became for the public the heroic cultural icon of American science, but he also became a target and a tragic victim of the cold-war fear and nuclear war preparations underlying the McCarthy era. This biographical study focuses on Oppenheimer’s cultural and intellectual rise as a theoretical physicist as well as his role within the trajectory of the nation’s rise to scientific leadership and the post-war forces that confronted American science. This biography is nearly unique in that it includes discussions for general audiences of Oppenheimer’s work and contributions to theoretical physics, including his famous prediction of black holes sixty years before their confirmed discovery. “Now David Cassidy brings us the best account of Oppenheimer’s life in science with J. Robert Oppenheimer and the American Century.” — T. Powers, New York Review of Books “Cassidy covers this ground admirably in his thoughtful biography of Oppenheimer.” —Scientific American “Cassidy’s book...is probably the best single study of Oppenheimer to date.” — B. Bernstein, Physics World “Cassidy’s biography of J. Robert Oppenheimer is a concise, well-written book about the life of the famous 20th century scientist... A worthwhile read for anyone with an interest in the coming of age of American physics and how the weaknesses and strengths of one of its leaders shaped the relationship between science and the government for decades to come.” — Physics and Society “This biography is a detailed and beautifully written work. Cassidy expands beyond the traditional scope of a biography and expertly explores the surrounding environment that shaped Oppenheimer’s life.” — Atomic Archive “This excellent biography of J. Robert Oppenheimer places the eminent physicist in the context of twentieth century America... Cassidy... provides excellent insights into the life and times of this complex man. Unlike many other biographers of Oppenheimer, Cassidy assesses his role as a twentieth century theoretical physicist.” — Alsos Digital Library for Nuclear Issues “A superbly researched biography... There is no doubt that Cassidy gives us a valuable perspective on Oppenheimer’s life. The author is shy neither of editorializing nor of making judgments about the personalities who appear in the story... These comments are almost unfailingly fair and justified by the evidence.” — Times Higher Education “Cassidy... has written a book that neither praises Oppenheimer nor buries his reputation but, rather, puts some tarnish upon the icon.” — G. Herken, Science
Author: Stefan Teufel
Publisher: Springer Science & Business Media
ISBN: 9783540407232
Category : Perturbation (Quantum dynamics)
Languages : en
Pages : 248
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Book Description
Author: Jennet Conant
Publisher: Simon and Schuster
ISBN: 1416585427
Category : History
Languages : en
Pages : 448
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Book Description
From the bestselling author of Tuxedo Park, the extraordinary story of the thousands of people who were sequestered in a military facility in the desert for twenty-seven intense months under J. Robert Oppenheimer where the world's best scientists raced to invent the atomic bomb and win World War II. In 1943, J. Robert Oppenheimer, the brilliant, charismatic head of the Manhattan Project, recruited scientists to live as virtual prisoners of the U.S. government at Los Alamos, a barren mesa thirty-five miles outside Santa Fe, New Mexico. Thousands of men, women, and children spent the war years sequestered in this top-secret military facility. They lied to friends and family about where they were going and what they were doing, and then disappeared into the desert. Through the eyes of a young Santa Fe widow who was one of Oppenheimer's first recruits, we see how, for all his flaws, he developed into an inspiring leader and motivated all those involved in the Los Alamos project to make a supreme effort and achieve the unthinkable.
Author: Ray Monk
Publisher: Anchor
ISBN: 0385722044
Category : Biography & Autobiography
Languages : en
Pages : 882
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Book Description
An unforgettable story of discovery and unimaginable destruction and a major biography of one of America’s most brilliant—and most divisive—scientists, Robert Oppenheimer: A Life Inside the Center vividly illuminates the man who would go down in history as “the father of the atomic bomb.” “Impressive. . . . An extraordinary story.”—The New York Times Book Review “Judicious, comprehensive and reliable. . . . By far the most thorough survey yet written of Oppenheimer’s physics."—Washington Post Oppenheimer’s talent and drive secured him a place in the pantheon of great physicists and carried him to the laboratories where the secrets of the universe revealed themselves. But they also led him to contribute to the development of the deadliest weapon on earth, a discovery he soon came to fear. His attempts to resist the escalation of the Cold War arms race—coupled with political leanings at odds with post-war America—led many to question his loyalties, and brought down upon him the full force of McCarthyite anti-communism. Digging deeply into Oppenheimer’s past to solve the enigma of his motivations and his complex personality, Ray Monk uncovers the extraordinary, charming, tortured man—and the remarkable mind—who fundamentally reshaped the world.
Author: J. Rychlewski
Publisher: Springer Science & Business Media
ISBN: 9781402016745
Category : Science
Languages : en
Pages : 588
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Book Description
Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.
Author: David Wales
Publisher: Cambridge University Press
ISBN: 9780521814157
Category : Science
Languages : en
Pages : 696
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Book Description
A self-contained account of energy landscape theory aimed at graduate students and researchers.
Author: Silvan S. Schweber
Publisher: Harvard University Press
ISBN: 067403452X
Category : Biography & Autobiography
Languages : en
Pages : 429
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Book Description
Albert Einstein and J. Robert Oppenheimer, two iconic scientists of the twentieth century, belonged to different generations, with the boundary marked by the advent of quantum mechanics. By exploring how these men differed—in their worldview, in their work, and in their day—this book provides powerful insights into the lives of two critical figures and into the scientific culture of their times. In Einstein’s and Oppenheimer’s philosophical and ethical positions, their views of nuclear weapons, their ethnic and cultural commitments, their opinions on the unification of physics, even the role of Buddhist detachment in their thinking, the book traces the broader issues that have shaped science and the world. Einstein is invariably seen as a lone and singular genius, while Oppenheimer is generally viewed in a particular scientific, political, and historical context. Silvan Schweber considers the circumstances behind this perception, in Einstein’s coherent and consistent self-image, and its relation to his singular vision of the world, and in Oppenheimer’s contrasting lack of certainty and related non-belief in a unitary, ultimate theory. Of greater importance, perhaps, is the role that timing and chance seem to have played in the two scientists’ contrasting characters and accomplishments—with Einstein’s having the advantage of maturing at a propitious time for theoretical physics, when the Newtonian framework was showing weaknesses. Bringing to light little-examined aspects of these lives, Schweber expands our understanding of two great figures of twentieth-century physics—but also our sense of what such greatness means, in personal, scientific, and cultural terms.
