Research Catalog

Reduced-density-matrix mechanics : with applications to many-electron atoms and molecules

Title
Reduced-density-matrix mechanics : with applications to many-electron atoms and molecules / edited by David A. Mazziotti.
Publication
Hoboken, N.J. : Wiley, [2007], ©2007.

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Book/TextRequest in advance 541.3 Ad95 v.134Off-site

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Details

Additional Authors
Mazziotti, David A.
Description
xx, 574 pages : illustrations; 24 cm.
Series Statement
Advances in chemical physics, 0065-2385 ; v. 134
Uniform Title
Advances in chemical physics ; v. 134.
Subjects
Bibliography (note)
  • Includes bibliographical references and indexes.
Contents
Ch. 1. N-representability / John Coleman -- Ch. 2. Historical introduction / Mitja Rosina -- Ch. 3. Variational two-electron reduced-density-matrix theory / David A. Mazziotti -- Ch. 4. The lower bound method for density matrices and semidefinite programming / Robert M. Erdahl -- Ch. 5. The T1 and T2 representability conditions / Bastiaan J. Braams, Jerome K. Percus and Zhengji Zhao -- Ch. 6. Semidefinite programming : formulations and primal-dual interior-point methods / Mituhiro Fukuda, Maho Nakata and Makoto Yamashita -- Ch. 7. Theory and methodology of the contracted schrodinger EQUATION / C. Valdemoro -- Ch. 8. Contracted Schrodinger equation / David A. Mazziotti -- Ch. 9. Purification of correlated reduced density matrices : review and applications / D. R. Alcoba -- Ch. 10. Cumulants, extensivity, and the connected formulation of the contracted Schrodinger equation / John M. Herbert and John E. Harriman -- Ch. 11. Generalized normal ordering, irreducible Brillouin conditions, and contracted Schrodinger equations / Werner Kutzelnigg and Debashis Mukherjee -- Ch. 12. Anti-Hermitian formulation of the contracted Schrodinger theory / David A. Mazziotti -- Ch. 13. Canonical transformation theory for dynamic correlations in multireference problems / Garnet Kin-Lic Chan and Takeshi Yanai -- Ch. 14. Natural orbital functional theory / Mario Piris -- Ch. 15. Geminal functional theory / B. C. Rinderspacher -- Ch. 16. Linear inequalities for diagonal elements of density matrices / Paul W. Ayers and Ernest R. Davidson -- Ch. 17. Parameterization of the 2-RDM / A. John Coleman -- Ch. 18. Entanglement, electron correlation, and density matrices / Sabre Kais.
ISBN
  • 9780471790563
  • 0471790567
OCLC
  • 122341679
  • ocn122341679
  • SCSB-5323539
Owning Institutions
Columbia University Libraries