Quantum Systems in Chemistry and Physics: v. 1 & 2

Quantum Systems in Chemistry and Physics: v. 1 & 2

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These two volumes comprise 40 papers coming from the most outstanding contributions to the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a very broad spectrum of scientific research work from quantum-mechanical many-body methods to important applications and computational developments, and from atoms and molecules to condensed matter. The first volume includes the following topics: density matrices and density functionals, electron correlation effects, relativistic formulations, valence theory, and nuclear motions. The second volume covers the following topics: response theory, condensed matter, reactive collisions and chemical reactions, and computational chemistry and physics.
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Product details

  • Hardback | 848 pages
  • Dordrecht, Netherlands, United States
  • English
  • 0792359712
  • 9780792359715

Table of contents

Part 1 Density matrices and density functionals: 3-Body correlation effects in third order reduced density matrices, C. Valdemoro, et al; electron correlation effects - ab initio summation over states/CI singles for static and dynamic first hyperpolarizabilities of small molecules, M. Spassova, et al; comparing (SC)2CAS-SDCI and externally corrected CCSD methods, G. Peris, J.P. Malrieu; the size-consistent self-consistent SDCI method for excited states and ionization potentials, J. Pitarch-Ruiz, et al; influence of electron correlation on the electronic structure of superconducting Y-ceramics, I.G. Kaplan, et al. Part 2 Relativistic formulations: perspectives in relativistic Thomas-Fermi calculations for atomic systems, I. Porras, A. Moya; expectation values for ground state atoms from a modified Thomas-Fermi-diract approach, A. Moya, I. Porras. Part 3 Relativisitic oscillator strengths for excited-state transitions in halogen atoms: regularities, C. Lavin, et al; extension of the relativistic quantum defect orbital method to the tratment of many-valence electron atoms; atomic transition in Ar II, I. Martiin, et al. Part 4 Valence theory. Part 5 Nuclear motions: the effect of the pseudopotential on the torsional energy levels of hydrogen peroxide and deuterium peroxide; M.L. Senent, Y.G. Smeyers. Part 6 Response theory: duality in two-ways interferometers - the symmetric quanton-detecton system, J. Martinez-Linares, D.A. Harmin; atomic resonances in external field; R. Gonzalez-Ferez, W. Schew.
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