New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes
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New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes
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Author :
language : en
Publisher: Academic Press
Release Date : 2021-09-28
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-28 with Science categories.
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes
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Author : Philip E. Hoggan
language : en
Publisher:
Release Date : 2021
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes written by Philip E. Hoggan and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with Atomic orbitals categories.
"Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes."--publisher's web page, viewed September 28, 2021.
Polish Quantum Chemistry From Ko Os To Now
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Author : Monika Musial
language : en
Publisher: Elsevier
Release Date : 2023-06-05
Polish Quantum Chemistry From Ko Os To Now written by Monika Musial and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-05 with Science categories.
Polish Quantum Chemistry from Kołos to Now, Volume 87 provides a survey of contributions coauthored by Polish scientists working in Poland, and in European and American Universities. Sections in this release include Review: From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment, Review: How to make symmetry-adapted perturbation theory more accurate, Review: Advanced models of coupled cluster theory for the ground, excited and ionized states, Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, and more. Additional chapters cover Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different real-time time-dependent configuration interaction approaches, Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, and much more. - Updates on the latest developments and performance of SAPT - Presents key theory and applications of high precision calculations for few electron systems - Includes discussions on the development and applications of the DFT approach
Solving The Schrodinger Equation
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Author : Paul L. A. Popelier
language : en
Publisher: World Scientific
Release Date : 2011
Solving The Schrodinger Equation written by Paul L. A. Popelier and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.
The Schrodinger equation is the master equation of quantum chemistry. The founders of quantum mechanics realised how this equation underpins essentially the whole of chemistry. However, they recognised that its exact application was much too complicated to be solvable at the time. More than two generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrodinger equation. Each method is based on a set of core ideas and this volume aims to explain these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method that combines the best of all worlds?
Research And Development In Progress
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Author :
language : en
Publisher:
Release Date : 1973
Research And Development In Progress written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1973 with Nuclear energy categories.
Physics Briefs
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Author :
language : en
Publisher:
Release Date : 1993
Physics Briefs written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Physics categories.
Explicitly Correlated Wave Functions In Chemistry And Physics
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Author : J. Rychlewski
language : en
Publisher: Springer Science & Business Media
Release Date : 2003-11-30
Explicitly Correlated Wave Functions In Chemistry And Physics written by J. Rychlewski and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-11-30 with Science categories.
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.
Springer Handbook Of Atomic Molecular And Optical Physics
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Author : Gordon W. F. Drake
language : en
Publisher: Springer Nature
Release Date : 2023-02-09
Springer Handbook Of Atomic Molecular And Optical Physics written by Gordon W. F. Drake and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-02-09 with Science categories.
Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.
Scientific And Technical Aerospace Reports
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Author :
language : en
Publisher:
Release Date : 1986
Scientific And Technical Aerospace Reports written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Aeronautics categories.
Planewaves Pseudopotentials And The Lapw Method
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Author : David J. Singh
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-10-12
Planewaves Pseudopotentials And The Lapw Method written by David J. Singh and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-10-12 with Technology & Engineering categories.
The first edition of this book, published in 1994, provided an exposition of the LAPW method and its relationship with other electronic structure approaches, especially Car-Parrinello based planewave methods. Since publication of that book, the LAPW method has been transformed from a specialized method used mostly by researchers running their own home made versions, to a popular, widely used method, where most users run standard codes to investigate ma terials of interest to them. This is an exciting development because it opens the door to widespread use of first principles calculations in diverse areas of condensed matter physics and materials science. The positive impact of this on scientific progress is already becoming clear. Also as a result of this trend, the great majority of researchers using the LAPW method are no longer directly in volved in the development of LAPW codes. Nonetheless, it remains important to understand how the LAPW method works, what its limitations are, and how its parameters determine the quahty and efficiency of calculations. The scientist with an understanding of how the method works has a clear advantage. This edition is an updated and expanded treatment of the LAPW method, including descriptions of key developments in the LAPW method since 1994, such as p 1/2 local orbitals, the APW-i-LO method, LDA+U calculations and non-collinear magnetism, as well as much of the material from the first edition.