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Advances in Quantum Chemistry
  • Language: en
  • Pages: 400

Advances in Quantum Chemistry

  • Type: Book
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  • Published: 2023-09-28
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  • Publisher: Elsevier

Advances in Quantum Chemistry, Volume 88 presents the latest ongoing research at the forefront of Electronic structure theory. Chapters in the updated release include Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model, Analytical evaluation of Hylleraas-CI Coulomb and Hybrid two-center Integrals over Slater orbitals, Hartree-Fock-Roothaan Theory of Molecular Compton Profiles Via Position Space Method, Analysis of Research Trend on the Molecular Integrals Over Slater Type Orbitals, An efficient approximation for accelerating convergence of numerical power series, Results for the 1D-Schroedinger equation, The aims and objectives of algebraic molecular orbital theory, and much more. Includes new theoretical methods Provides state-of-the art electron correlation, methods and effects Covers the challenge of excited electronic states

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes
  • Language: en
  • Pages: 354

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

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

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
  • Language: en
  • Pages: 360

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 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. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more. 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

Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory
  • Language: en
  • Pages: 311

Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory

Advances in Quantum Chemistry 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. This volume focuses on the theory of heavy ion physics in medicine. Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry
  • Language: en
  • Pages: 337

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

Advances in Quantum Chemistry 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. This volume focuses on the theory of heavy ion physics in medicine. Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine

Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry
  • Language: en
  • Pages: 440

Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry

Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including 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. 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 The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems
  • Language: en
  • Pages: 374

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. Provides reports on current work in molecular and atomic quantum mechanics Contains work reported by many of the best scientists in the field Presents the latest release in the Advances in Quantum Chemistry series

Advances in the Theory of Quantum Systems in Chemistry and Physics
  • Language: en
  • Pages: 630

Advances in the Theory of Quantum Systems in Chemistry and Physics

Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Expo...

Self-Organization of Molecular Systems
  • Language: en
  • Pages: 400

Self-Organization of Molecular Systems

Proceedings of the NATO Advanced Research Workshop on Molecular Self-Organization: From Molecules to Water, to Nanoparticles, to DNA and Proteins Kyiv, Ukraine 8-12 June 2008

Advances in Quantum Chemistry
  • Language: en
  • Pages: 406

Advances in Quantum Chemistry

  • Type: Book
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  • Published: 2024-01-22
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  • Publisher: Elsevier

Advances in Quantum Chemistry, Volume 89 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Updates in this release include Scattering of e± with Al, Ni, Cu, Ag, Pt, and Au atoms including the relativistic effects at 1 eV = Ei = 1 MeV, Chirped Pulse Control of Raman Coherence in Atoms and Molecules, and The Quantum Mechanical Non-adiabatic coupling Term as friction in the formation of DH2+. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in Advances in Quantum Chemistry series Updated release includes the latest information on this timely topic