Hasanein Ahmed Hasanein – författare
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2 produkter
2 produkter
E-bok
PDF, Engelska, 1996349 kr
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This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods.Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one thereafter in a logically consistent way that should be accessible to undergraduates. These include LCAO, Hartree-Fock-SCF method for molecules, Roothaan LCAO-MO-SCF method, and electron correlation energy.Chapter 4 is devoted to the more sophisticated computational methods in quantum chemistry, with an introduction to topics that include: the zero differential overlap approximation; Huckel MO theory of conjugated molecules; Pariser-Parr-Pople MO method; extended Huckel theory; neglect of differential overlap methods; invariance in space requirements; CNDO; INDO; NDDO; MINDO; MNDO; AM1; MNDO-PM3; SAM1; SINDO1; CNDO/S; PCILO,Xα; and ab initio methods.This is followed by an introduction to Moller-Plesset perturbation theory of many electrons, and coupled perturbed Hartree Fock theory, with a description of the coupled cluster method. Finally Chapter 5 applies these methods to problems of contemporary interest.The book is designed to be a junior/senior level text in computational quantum mechanics, suitable for undergraduates and graduates in chemistry, physics, computer science, and associated disciplines.
E-bok
PDF, Engelska, 1994520 kr
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This first volume of this two-volume set deals with the important recent discovery of the photomagneton of electromagnetic radiation, a discovery which is fundamental in quantum field theory and in quantum mechanics in matter. The photomagneton is the elementary quantum of magnetic flux density carried by the individual photon in free space, and is generated directly by the intrinsic angular momentum of the free photon. The volume develops the theory of the photomagneton in a series of papers, which cover all the major aspects of the theory, from classical electrodynamics to the relativistic quantum field. Several suggestions are given for experimental tests, and the available experimental evidence is discussed in detail. The overall conclusion of the series of papers is that the photomagneton, which is observable experimentally in magneto-optical phenomena, indicates the presence in free space of a novel, longitudinal, magnetic flux density, linked ineluctably to the usual transverse components. If the photomagneton is not observed, then a paradox would have emerged at the most fundamental electrodynamical level, necessitating a modification of the Maxwell equations themselves.