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Author: Viraht Sahni
Publisher: Springer Nature
ISBN: 303097409X
Category : Science
Languages : en
Pages : 415
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Book Description
This book presents a complementary perspective to Schrödinger theory of electrons in an electromagnetic field, one that does not appear in any text on quantum mechanics. The perspective, derived from Schrödinger theory, is that of the individual electron in the sea of electrons via its temporal and stationary-state equations of motion – the ‘Quantal Newtonian’ Second and First Laws. The Laws are in terms of ‘classical’ fields experienced by each electron, the sources of the fields being quantum-mechanical expectation values of Hermitian operators taken with respect to the wave function. Each electron experiences the external field, and internal fields representative of properties of the system, and a field descriptive of its response. The energies are obtained in terms of the fields. The ‘Quantal Newtonian’ Laws lead to physical insights, and new properties of the electronic system are revealed. New mathematical understandings of Schrödinger theory emerge which show the equation to be intrinsically self-consistent. Another complimentary perspective to Schrödinger theory is its manifestation as a local effective potential theory described via Quantal Density Functional theory. This description too is in terms of ‘classical’ fields and quantal sources. The theory provides a rigorous physical explanation of the mapping from the interacting system to the local potential theory equivalent. The complementary perspective to stationary ground state Schrödinger theory founded in the theorems of Hohenberg and Kohn, their extension to the presence of a magnetic field and to the temporal domain – Modern Density Functional Theory -- is also described. The new perspectives are elucidated by application to analytically solvable interacting systems. These solutions and other relevant wave function properties are derived.
Author: Viraht Sahni
Publisher: Springer Nature
ISBN: 303097409X
Category : Science
Languages : en
Pages : 415
Get Book Here
Book Description
This book presents a complementary perspective to Schrödinger theory of electrons in an electromagnetic field, one that does not appear in any text on quantum mechanics. The perspective, derived from Schrödinger theory, is that of the individual electron in the sea of electrons via its temporal and stationary-state equations of motion – the ‘Quantal Newtonian’ Second and First Laws. The Laws are in terms of ‘classical’ fields experienced by each electron, the sources of the fields being quantum-mechanical expectation values of Hermitian operators taken with respect to the wave function. Each electron experiences the external field, and internal fields representative of properties of the system, and a field descriptive of its response. The energies are obtained in terms of the fields. The ‘Quantal Newtonian’ Laws lead to physical insights, and new properties of the electronic system are revealed. New mathematical understandings of Schrödinger theory emerge which show the equation to be intrinsically self-consistent. Another complimentary perspective to Schrödinger theory is its manifestation as a local effective potential theory described via Quantal Density Functional theory. This description too is in terms of ‘classical’ fields and quantal sources. The theory provides a rigorous physical explanation of the mapping from the interacting system to the local potential theory equivalent. The complementary perspective to stationary ground state Schrödinger theory founded in the theorems of Hohenberg and Kohn, their extension to the presence of a magnetic field and to the temporal domain – Modern Density Functional Theory -- is also described. The new perspectives are elucidated by application to analytically solvable interacting systems. These solutions and other relevant wave function properties are derived.
Author: Andrii Iurov
Publisher: Springer Nature
ISBN: 3031600657
Category :
Languages : en
Pages : 389
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Book Description
Author: Roman F. Nalewajski
Publisher: Springer Science & Business Media
ISBN: 3642201792
Category : Science
Languages : en
Pages : 727
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Book Description
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Author: Henry A. Bent
Publisher: Trafford Publishing
ISBN: 1490714073
Category : Juvenile Nonfiction
Languages : en
Pages : 303
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Book Description
MOLECULES and the Chemical Bond is about understanding Schrdingers equation, for chemical systems. In his famous Lectures on Physics, Richard Feynman quotes Paul Dirac on what it means to understand an equation. I understand what an equation means, said Dirac, if I have a way of figuring out the characteristics of its solutions without actually solving it. That hits the nail on the head! Its precisely what Conceptual Valence Bond Theory does for Schrdingers equation. A physical understanding of an equation, adds Feynman, is a completely unmathematical, imprecise, and inexact thing, but absolutely necessary for a physicist. It unfolds in MCB in two stages, described by Newton as a stage of Analysis (a union of observations and inductions) and a stage of Synthesis (use of inductions, accepted as first principles, to explain observations). The books chief vehicle for creating an intuitive understanding of solutions of Schrdingers equation is the worlds largest and to the authors knowledge, virtually only library of line drawings of exclusive orbital models of chemical species electron density profiles. By focussing attention on fundamental physical principles and by avoiding use of atomic orbitals and, thereby, mathematical complexities associated with Schrdingers equation (the only source of atomic orbitals), the books essays provide a scientifically sound, student-friendly introduction to modern valence theory. Repetition of fundamental ideas, here and there, is intended to make individual essays understandable and interesting, each by itself, so that readers may examine them in any order, in leisurely walks, so to speak, in the big garden that is valence theory, picking bouquets to their liking.
Author: Roman F. Nalewajski
Publisher: Springer Science & Business Media
ISBN: 3642201806
Category : Science
Languages : en
Pages : 727
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Book Description
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Author: Simon Grabowsky
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 311066027X
Category : Science
Languages : en
Pages : 412
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Book Description
As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.
Author: Olimpia Lombardi
Publisher: Springer Nature
ISBN: 3030983730
Category : Science
Languages : en
Pages : 256
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Book Description
This book explores the philosophy and the foundations of quantum chemistry. It features chapters written by experts in the field. The contributions analyze quantum chemistry as a discipline, in particular, its relation with both chemistry and physics from the viewpoint of realism and reduction. Coverage includes such topics as quantum chemistry as an “in-between” discipline, molecular structure and quantum mechanics, quantum chemical models, and atoms and molecules in quantum chemistry. The interest of this book is twofold. First, the contributions aim to update and refresh the discussions regarding the foundations of quantum chemistry. Second, they seek to develop new philosophical perspectives that this discipline can suggest to philosophers of science. From its origins, quantum chemistry filled a problematic position in the disciplinary space. On the one hand, it is a branch of theoretical chemistry. On the other hand, it appeals essentially to theoretical tools coming from physics. This peculiar position triggered conceptual questions about its own identity. Inside this book, readers will find updated discussions on the foundations and the philosophy of this complex discipline.
Author: Prof. Dr. Bilal Semih Bozdemir
Publisher: Prof. Dr. Bilal Semih Bozdemir
ISBN:
Category : Fiction
Languages : en
Pages : 468
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Book Description
Humans and the Third Dimension; A Journey of Discovery The Limits of Our Perceptions Our Three-Dimensional World: A Familiar Reality Space and Time: Basic Concepts The Limits of Human Perception: Sight, Hearing, Touch Other Senses: Smell and Taste The Sixth Sense: Intuition and Insight The Subconscious and the Superconscious: Hidden Worlds Dreams and Reality: Is There a Difference? Parallel Universes: Possibilities and Scenarios Quantum Physics: On the Nature of Reality Quantum Entanglement: Separate But Connected Superposition: Being in More Than One State Quantum Examples: Reflections in Daily Life Time Travel: Is It Possible? The Theory of Relativity of Time: Einstein's Legacy Black Holes: The End of Time? Wormholes: Transitioning from One Dimension to Another The Theory of the Multiverse: Infinite Possibilities The Fourth Dimension and Beyond: Challenges of Conceptualization Human Consciousness and Dimensions: Is There a Connection? Aura and Energy Fields: Invisible Worlds Meditation and Consciousness Expansion: New Perspectives Astral Travel: Unconscious Experiences Telepathy and Remote Influence: Mind Power Dream Interpretation: Signs of the Subconscious Kabbalah and Dimensions: The View of the Ancient Sages Buddhism and Dimensions: Spiritual Development Hinduism and Dimensions: Karma and Reincarnation Shamanism and Dimensions: Spiritual Journeys Human Body and Energy Centers: Chakras Chakra Balancing and Healing: Holistic Approach Frequencies and Vibrations: The Language of Energy Crystals and Energy: Healing and Balance Reiki and Energy Healing: Modern Applications Spiritual Applications: Interdimensional Connections Traces of the Unseen World: Historical Examples Mysterious Events: The Unexplained Phenomenon UFOs and Aliens: Fact or Fiction? Exploration of the Unknown: A Continuous Process Man's Place in the Universe: Existential Questions
Author: Brian W. Pfennig
Publisher: John Wiley & Sons
ISBN: 1119650321
Category : Science
Languages : en
Pages : 836
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Book Description
PRINCIPLES OF INORGANIC CHEMISTRY Discover the foundational principles of inorganic chemistry with this intuitively organized new edition of a celebrated textbook In the newly revised Second Edition of Principles of Inorganic Chemistry, experienced researcher and chemist Dr. Brian W. Pfennig delivers an accessible and engaging exploration of inorganic chemistry perfect for sophomore-level students. This redesigned book retains all of the rigor of the first edition but reorganizes it to assist readers with learning and retention. In-depth boxed sections include original mathematical derivations for more advanced students, while topics like atomic and molecular term symbols, symmetry coordinates in vibrational spectroscopy, polyatomic MO theory, band theory, and Tanabe-Sugano diagrams are all covered. Readers will find many worked examples throughout the text, as well as numerous unanswered problems at varying levels of difficulty. Informative, colorful illustrations also help to highlight and explain the concepts discussed within. The new edition includes an increased emphasis on the comparison of the strengths and weaknesses of different chemical models, the interconnectedness of valence bond theory and molecular orbital theory, as well as a more thorough discussion of the atoms in molecules topological model. Readers will also find: A thorough introduction to and treatment of group theory, with an emphasis on its applications to chemical bonding and spectroscopy A comprehensive exploration of chemical bonding that compares and contrasts the traditional classification of ionic, covalent, and metallic bonding In-depth examinations of atomic and molecular orbitals and a nuanced discussion of the interrelationship between VBT, MOT, and band theory A section on the relationship between a molecule’s structure and bonding and its chemical reactivity With its in-depth boxed discussions, this textbook is also ideal for senior undergraduate and first-year graduate students in inorganic chemistry, Principles of Inorganic Chemistry is a must-have resource for anyone seeking a principles-based approach with theoretical depth. Furthermore, it will be useful for students of physical chemistry, materials science, and chemical physics.
Author: Robert Golub
Publisher: Oxford University Press
ISBN: 0192555367
Category : Science
Languages : en
Pages : 769
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Book Description
Following the path by which humanity learned quantum mechanics can lead to an improved teaching and understanding of the fundamental theory and the origins of its perceived limitations. The purpose of this textbook is to retrace the development of quantum mechanics by investigating primary sources (including original published papers and letters) with attention to their timing and influence. Placing the development of quantum mechanics in its historical context, from the nascent philosophical notions of matter, atoms, and void in Ancient Greece, to their scientific realization in the 19th and 20th centuries, the book culminates with an examination of the current state of the field and an introduction to quantum information and computing.
