Exterior Complex Scaling Approach for Atoms and Molecules in Strong DC Fields

Exterior Complex Scaling Approach for Atoms and Molecules in Strong DC Fields

Author: Patrik Cristian Pirkola

Publisher:

Published: 2021

Total Pages: 0

ISBN-13:

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We perform a short review of the history of quantum mechanics, with a focus on the historical problems with describing ionization theoretically in the context of quantum mechanics. The essentials of the theory of resonances are presented. The exterior complex scaling method for obtaining resonance parameters within the context of the Schrodinger equation is detailed. We explain how this is implemented for a numerical solution using a finite element method for the scaled variable. Results for the resonance parameters of a one-dimensional hydrogen model in an external direct current (DC) electric field are presented as proof of the independence of the theory from the scaling angle. We apply the theory to the real hydrogen atom in a DC field and present results which agree with literature values. The resonance parameters for singly ionized helium are also presented. Using a model potential energy for the water molecule, we solve for the energy eigenvalues. We then solve for the resonance parameters of the water molecule in a DC field and compare to literature results. Our widths for the valence orbital are shown to agree well with the so-called "coupled-cluster singles and doubles with perturbative triples excitations" method.


Atoms and Molecules in Strong External Fields

Atoms and Molecules in Strong External Fields

Author: P. Schmelcher

Publisher: Springer Science & Business Media

Published: 2007-05-08

Total Pages: 330

ISBN-13: 0306470748

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This book contains contributions to the 172. WE-Heraeus-Seminar “Atoms and Molecules in Strong External Fields,” which took place April 7–11 1997 at the Phys- zentrum Bad Honnef (Germany). The designation “strong fields” applies to external static magnetic, and/or electric fields that are sufficiently intense to cause alterations in the atomic or molecular str- ture and dynamics. The specific topics treated are the behavior and properties of atoms in strong static fields, the fundamental aspects and electronic structure of molecules in strong magnetic fields, the dynamics and aspects of chaos in highly excited R- berg atoms in external fields, matter in the atmosphere of astrophysical objects (white dwarfs, neutron stars), and quantum nanostructures in strong magnetic fields. It is obvious that the elaboration of the corresponding properties in these regimes causes the greatest difficulties, and is incomplete even today. Present-day technology has made it possible for many research groups to study the behavior of matter in strong external fields, both experimentally and theore- cally, where the phrase “experimentally” includes the astronomical observations. - derstanding these systems requires the development of modern theories and powerful computational techniques. Interdisciplinary collaborations will be helpful and useful in developing more efficient methods to understand these important systems. Hence the idea was to bring together people from different fields like atomic and molecular physics, theoretical chemistry, astrophysics and all those colleagues interested in aspects of few-body systems in external fields.


Controlling the Quantum World

Controlling the Quantum World

Author: National Research Council

Publisher: National Academies Press

Published: 2007-06-21

Total Pages: 245

ISBN-13: 0309102707

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As part of the Physics 2010 decadal survey project, the Department of Energy and the National Science Foundation requested that the National Research Council assess the opportunities, over roughly the next decade, in atomic, molecular, and optical (AMO) science and technology. In particular, the National Research Council was asked to cover the state of AMO science, emphasizing recent accomplishments and identifying new and compelling scientific questions. Controlling the Quantum World, discusses both the roles and challenges for AMO science in instrumentation; scientific research near absolute zero; development of extremely intense x-ray and laser sources; exploration and control of molecular processes; photonics at the nanoscale level; and development of quantum information technology. This book also offers an assessment of and recommendations about critical issues concerning maintaining U.S. leadership in AMO science and technology.


Quantum Systems in Physics, Chemistry and Biology - Theory, Interpretation and Results

Quantum Systems in Physics, Chemistry and Biology - Theory, Interpretation and Results

Author:

Publisher: Academic Press

Published: 2019-01-05

Total Pages: 486

ISBN-13: 0128160853

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Quantum Systems in Physics, Chemistry and Biology, Theory, Interpretation, and Results, Volume 78, the latest release in the Advances in Quantum Chemistry series 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. It features detailed reviews written by leading international researchers. 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


Spectral Theory and Mathematical Physics: A Festschrift in Honor of Barry Simon's 60th Birthday

Spectral Theory and Mathematical Physics: A Festschrift in Honor of Barry Simon's 60th Birthday

Author: Fritz Gesztesy

Publisher: American Mathematical Soc.

Published: 2007

Total Pages: 528

ISBN-13: 082184248X

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This Festschrift had its origins in a conference called SimonFest held at Caltech, March 27-31, 2006, to honor Barry Simon's 60th birthday. It is not a proceedings volume in the usual sense since the emphasis of the majority of the contributions is on reviews of the state of the art of certain fields, with particular focus on recent developments and open problems. The bulk of the articles in this Festschrift are of this survey form, and a few review Simon's contributions to aparticular area. Part 1 contains surveys in the areas of Quantum Field Theory, Statistical Mechanics, Nonrelativistic Two-Body and $N$-Body Quantum Systems, Resonances, Quantum Mechanics with Electric and Magnetic Fields, and the Semiclassical Limit. Part 2 contains surveys in the areas of Random andErgodic Schrodinger Operators, Singular Continuous Spectrum, Orthogonal Polynomials, and Inverse Spectral Theory. In several cases, this collection of surveys portrays both the history of a subject and its current state of the art. A substantial part of the contributions to this Festschrift are survey articles on the state of the art of certain areas with special emphasis on open problems. This will benefit graduate students as well as researchers who want to get a quick, yet comprehensiveintroduction into an area covered in this volume.


Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Author: Alexander V. Glushkov

Publisher: Springer Nature

Published: 2021-06-29

Total Pages: 358

ISBN-13: 3030683141

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This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.


Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

Author: Matti Hotokka

Publisher: Springer Science & Business Media

Published: 2013-09-13

Total Pages: 384

ISBN-13: 331901529X

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Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology. New trends and state-of-the-art developments in the quantum theory of atomic and molecular systems, and condensed matter (including biological systems and nanostructures) are described by academics of international distinction.


Cold Molecules

Cold Molecules

Author: Roman Krems

Publisher: CRC Press

Published: 2009-06-25

Total Pages: 756

ISBN-13: 1420059041

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The First Book on Ultracold MoleculesCold molecules offer intriguing properties on which new operational principles can be based (e.g., quantum computing) or that may allow researchers to study a qualitatively new behavior of matter (e.g., Bose-Einstein condensates structured by the electric dipole interaction). This interdisciplinary book discusse