This volume examines the requirements for a well-balanced description of energetically low-lying potential energy surfaces and the phenomena that occur on them. The theoretical aspects of the volume differ from traditional theoretical symposia by focusing on multiple surfaces and regions of potential energy surfaces away from stationary points.
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Mark R. Hoffmann is at University of North Dakota.
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This paper provides an overview of recent trends in the development of electronic structure theory for the accurate characterization of all, or large regions, of ground and excited potential energy surfaces. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
cation ground state, halogen monoxides, nondynamical electron correlation, vibrational term values, nondynamical correlation, nondynamic correlation, cluster amplitudes, cluster operators, active orbitals, interacting space, vertical excitation energies, anion orbitals, diabatic potentials, valence space, antisymmetric subspace, virial coefficient data, configuration state functions, set correction factor, triplet surfaces, diabatic representation, electron repulsion integrals, conical intersections, initio potential, excited determinants, ionization spectrum Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Quantum Chem, American Chemical Society, Van Voorhis, World Scientific, Monte Carlo, Plenum Press, American Institute of Physics, John Wiley, Modern Electronic Structure Theory, Density Functional Theory, Department of Energy, Computational Molecular Physics, Energy Figure, National Science Foundation, Pauli-Breit Hamiltonian, Academic Press, Air Force Office of Scientific Research, Cambridge University Press, Faraday Discuss, Grand Forks, Office of Basic Energy Sciences, Oxford University Press, University of North Dakota, University of Waterloo New!
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This paper provides an overview of recent trends in the development of electronic structure theory for the accurate characterization of all, or large regions, of ground and excited potential energy surfaces. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
cation ground state, halogen monoxides, nondynamical electron correlation, vibrational term values, nondynamical correlation, nondynamic correlation, cluster amplitudes, cluster operators, active orbitals, interacting space, vertical excitation energies, anion orbitals, diabatic potentials, valence space, antisymmetric subspace, virial coefficient data, configuration state functions, set correction factor, triplet surfaces, diabatic representation, electron repulsion integrals, conical intersections, initio potential, excited determinants, ionization spectrum Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Quantum Chem, American Chemical Society, Van Voorhis, World Scientific, Monte Carlo, Plenum Press, American Institute of Physics, John Wiley, Modern Electronic Structure Theory, Density Functional Theory, Department of Energy, Computational Molecular Physics, Energy Figure, National Science Foundation, Pauli-Breit Hamiltonian, Academic Press, Air Force Office of Scientific Research, Cambridge University Press, Faraday Discuss, Grand Forks, Office of Basic Energy Sciences, Oxford University Press, University of North Dakota, University of Waterloo New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 48
books:
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5
books
cite this book:
- Modern Electronic Structure Theory (Advanced Series in Physical Chemistry ; Vol. 2) (v. 1) by David Yarkony on 5 pages
- Methods in Computational Molecular Physics (NATO Science Series B: Physics) by Stephen Wilson on 4 pages
- Mathematical Frontiers in Computational Chemical Physics (The IMA Volumes in Mathematics and its Applications) by Donald G. Truhlar on page 28, and page 237
- Recent Progress in Many-Body Theories: Volume 4 (Recent Progress in Many-Body Theories Vol. 4) by H. Mitter on page 150
- Photodissociation Dynamics: Spectroscopy and Fragmentation of Small Polyatomic Molecules (Cambridge Monographs on Atomic, Molecular and Chemical Physics) by Reinhard Schinke on page 313
See all 48 books this book cites
- Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections by Michael Baer on page 83, and page 221
- Theory of Chemical Reaction Dynamics (NATO Science Series II: Mathematics, Physics and Chemistry) by Antonio Laganą on page 103
- Theory of Chemical Reaction Dynamics (NATO Science Series II: Mathematics, Physics and Chemistry) by Antonio Laganą on page 103
- Annual Reports in Computational Chemistry, Volume 1 by David C. Spellmeyer on page 56
- Advanced Topics in Theoretical Chemical Physics (Progress in Theoretical Chemistry and Physics) by J. Maruani on page 202
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