Download or read book A Discrete Variable Representation for Electron hydrogen Atom Scattering written by and published by . This book was released on 1994 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: A discrete variable representation (DVR) suitable for treating the quantum scattering of a low energy electron from a hydrogen atom is presented. The benefits of DVR techniques (e.g. the removal of the requirement of calculating multidimensional potential energy matrix elements and the availability of iterative sparse matrix diagonalization/inversion algorithms) have for many years been applied successfully to studies of quantum molecular scattering. Unfortunately, the presence of a Coulomb singularity at the electrically unshielded center of a hydrogen atom requires high radial grid point densities in this region of the scattering coordinate, while the presence of finite kinetic energy in the asymptotic scattering electron also requires a sufficiently large radial grid point density at moderate distances from the nucleus. The constraints imposed by these two length scales have made application of current DVR methods to this scattering event difficult.
Download or read book A Discrete Variable Representation for Electron hydrogen Atom Scattering written by Lionel Francis Gaucher and published by . This book was released on 1994 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book Nonadiabatic Theory of Electron hydrogen Scattering written by S. Temkin and published by . This book was released on 1962 with total page 44 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2668 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1982 with total page 834 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Numerical Grid Methods and Their Application to Schr dinger s Equation written by C. Cerjan and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of numerical grid methods to solve the Schrodinger equation has rapidly evolved in the past decade.The early attempts to demonstrate the computational viability of grid methods have been largely superseded by applications to specific problems and deeper research into more sophisticated quadrature schemes. Underpinning this research, of course, is the belief that the generic nature of grid methods can enjoy a symbiotic development with advances in computer technology, harnessing this technology in an effective manner. The contributions to this proceedings demonstrate these points in full: several appli cations displayed creative use and extension of existing grid methodology; other research concentrated on the development of new quadrature schemes or mixed numerical meth ods. The research represented ranges from highly specific spectral simulations of van der Waals complexs to general schemes for reactive scattering. The novelty of grid methods in Density Functional Theory calculations should also be highlighted since it represents an alternative to standard basis set expansion techniques and might offer distinct advantages to the standard techniques. A deliberate attempt was made to present research material with more motivational and background discussion than is typical of research publications. It is hoped that these contributed proceedings will be useful to students and researchers outside the field to have a rapid and complete introduction to many of the exciting uses of grid methodology in atomic and molecular physics. Special thanks are due to the NATO Science Committee for its generous support of the activities of this workshop.
Download or read book Quantum Mechanics written by Eugen Merzbacher and published by John Wiley & Sons. This book was released on 1998-01-14 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rapid advances in quantum optics, atomic physics, particle physics and other areas have been driven by fantastic progress in instrumentation (especially lasers) and computing technology as well as by the ever-increasing emphasis on symmetry and information concepts-requiring that all physicists receive a thorough grounding in quantum mechanics. This book provides a carefully structured and complete exposition of quantum mechanics and illustrates the common threads linking many different phenomena and subfields of physics.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1975 with total page 1070 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1994 with total page 1118 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Semiclassical Methods in Chemical Reaction Dynamics written by Srihari Keshavamurthy and published by . This book was released on 1994 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book INIS Atomindex written by and published by . This book was released on 1995 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electronic Structure of Quantum Confined Atoms and Molecules written by K.D. Sen and published by Springer. This book was released on 2014-09-19 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is a collection of review articles highlighting the fundamental advances made in this area by the internationally acclaimed research groups , most of them being pioneers themselves and coming together for the first time.
Download or read book Faculties Publications and Doctoral Theses in Chemistry and Chemical Engineering at United States Universities written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1991 with total page 1646 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Hybrid Gaussian and Grid Basis Set for the Treatment of Molecular Scattering and Photoionization Problems written by Frank I. Yip and published by . This book was released on 2004 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modern Trends In Chemical Reaction Dynamics Part Ii Experiment And Theory written by Kopin Liu and published by World Scientific. This book was released on 2004-11-22 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new, state-of-the-art experimental and theoretical techniques during that period. It is beneficial to present these advances, both theoretical and experimental, in a review volume (Parts I and II). The primary purpose of this review volume is to provide graduate students and experts in the field with a rather detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. All chapters in these two parts have been written by world-renowned experts active in such research.
Download or read book Chemical Theory Beyond The Born oppenheimer Paradigm Nonadiabatic Electronic And Nuclear Dynamics In Chemical Reactions written by Kazuo Takatsuka and published by World Scientific. This book was released on 2014-12-09 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges the gap between cutting-edge technology of attosecond laser science and the theory of chemical reactivity. The essence of this book lies in the method of nonadiabatic electron wavepacket dynamic, which will set a new foundation for theoretical chemistry.In light of the great progress of molecular electronic structure theory (quantum chemistry), the authors show a new direction towards nonadiabatic electron dynamics, in which quantum wavepackets have been theoretically and experimentally revealed to bifurcate into pieces due to the strong kinematic interactions between electrons and nuclei.The applications range from nonadiabatic chemical reactions in photochemical dynamics to chemistry in densely quasi-degenerated electronic states that largely fluctuate through their mutual nonadiabatic couplings. The latter is termed as “chemistry without the potential energy surfaces” and thereby virtually no theoretical approach has been made yet.Restarting from such a novel foundation of theoretical chemistry, the authors cast new light even on the traditional chemical notions such as the Pauling resonance theory, proton transfer, singlet biradical reactions, and so on.
