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Quantal Density Functional Theory (Hardcover, 2nd ed. 2016): Viraht Sahni Quantal Density Functional Theory (Hardcover, 2nd ed. 2016)
Viraht Sahni
R4,095 R3,769 Discovery Miles 37 690 Save R326 (8%) Ships in 12 - 19 working days

This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The time-independent QDFT constitutes a special case. The 2nd edition describes the further development of the theory, and extends it to include the presence of an external magnetostatic field. The theory is based on the 'quantal Newtonian' second and first laws for the individual electron. These laws are in terms of 'classical' fields that pervade all space, and their quantal sources. The fields are separately representative of the electron correlations that must be accounted for in local potential theory. Recent developments show that irrespective of the type of external field the electrons are subject to, the only correlations beyond those due to the Pauli exclusion principle and Coulomb repulsion that need be considered are solely of the correlation-kinetic effects. Foundational to QDFT, the book describes Schroedinger theory from the new perspective of the single electron in terms of the 'quantal Newtonian' laws. Hohenberg-Kohn density functional theory (DFT), new understandings of the theory and its extension to the presence of an external uniform magnetostatic field are described. The physical interpretation via QDFT, in terms of electron correlations, of Kohn-Sham DFT, approximations to it and Slater theory are provided.

Schroedinger Theory of Electrons: Complementary Perspectives (Hardcover, 1st ed. 2022): Viraht Sahni Schroedinger Theory of Electrons: Complementary Perspectives (Hardcover, 1st ed. 2022)
Viraht Sahni
R4,260 Discovery Miles 42 600 Ships in 12 - 19 working days

This book presents a complementary perspective to Schroedinger theory of electrons in an electromagnetic field, one that does not appear in any text on quantum mechanics. The perspective, derived from Schroedinger 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 Schroedinger theory emerge which show the equation to be intrinsically self-consistent. Another complimentary perspective to Schroedinger 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 Schroedinger 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.

Quantal Density Functional Theory (Paperback, Softcover reprint of the original 2nd ed. 2016): Viraht Sahni Quantal Density Functional Theory (Paperback, Softcover reprint of the original 2nd ed. 2016)
Viraht Sahni
R2,915 Discovery Miles 29 150 Ships in 10 - 15 working days

This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The time-independent QDFT constitutes a special case. The 2nd edition describes the further development of the theory, and extends it to include the presence of an external magnetostatic field. The theory is based on the 'quantal Newtonian' second and first laws for the individual electron. These laws are in terms of 'classical' fields that pervade all space, and their quantal sources. The fields are separately representative of the electron correlations that must be accounted for in local potential theory. Recent developments show that irrespective of the type of external field the electrons are subject to, the only correlations beyond those due to the Pauli exclusion principle and Coulomb repulsion that need be considered are solely of the correlation-kinetic effects. Foundational to QDFT, the book describes Schroedinger theory from the new perspective of the single electron in terms of the 'quantal Newtonian' laws. Hohenberg-Kohn density functional theory (DFT), new understandings of the theory and its extension to the presence of an external uniform magnetostatic field are described. The physical interpretation via QDFT, in terms of electron correlations, of Kohn-Sham DFT, approximations to it and Slater theory are provided.

Quantal Density Functional Theory II - Approximation Methods and Applications (Paperback, 2009 ed.): Viraht Sahni Quantal Density Functional Theory II - Approximation Methods and Applications (Paperback, 2009 ed.)
Viraht Sahni
R4,392 Discovery Miles 43 920 Ships in 10 - 15 working days

In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its presentation as possible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout ?ve years, I realizedthat the goal was too ambitious, and that I would be writing for another ?ve years for it to be achieved. Fortunately,there was a natural breakin the material, and I proposed to my editor, Dr. Claus Ascheron, that we split the book into two components: the ?rst on the basic theoretical framework, and the second on approximation methods and applications. Dr. Ascheron consented, and I am thankful to him for agreeing to do so. Hence, we published Quantal Density Functional Theory in 2004, and are now publishing Quantal Density Functional Theory II: Approximation Methods and Applications. One signi?cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the ?eld. It is written in the same pedagogical style with details of all proofs and numerous ?gures provided to explain the physics. The book is independent of the ?rst volume and stands on its own. However, proofs given in the ?rst volume are not repeated here.

Quantal Density Functional Theory (Paperback, Softcover reprint of hardcover 1st ed. 2004): Viraht Sahni Quantal Density Functional Theory (Paperback, Softcover reprint of hardcover 1st ed. 2004)
Viraht Sahni
R3,604 Discovery Miles 36 040 Ships in 10 - 15 working days

Density functional theory is an important and widely used tool in many-body physics that has found applications in atomic, molecular, solid-state and nuclear physics. It is used principally to determine the electronic structure of these complex systems. Sahni has developed a new approach, termed quantal density functional theory, which simplifies the process of solving the computational problem and at the same time, gives insight into the underlying quantum mechanics. Further, the book describes Schr dinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT

Schrödinger Theory of Electrons: Complementary Perspectives (1st ed. 2022): Viraht Sahni Schrödinger Theory of Electrons: Complementary Perspectives (1st ed. 2022)
Viraht Sahni
R3,788 R3,575 Discovery Miles 35 750 Save R213 (6%) Ships in 9 - 17 working days

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.

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