Showing 13,281 - 13,300 results of 28,739 for search '"computability"', query time: 0.10s Refine Results
  1. 13281
  2. 13282
  3. 13283
  4. 13284
  5. 13285

    Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution by Mihai V. Putz

    Published 2013-01-01
    “…Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic spectra of spin-orbitals' eigenstates; it is the most subtle issue regarding Koopmans' theorem as it brings many critics and refutation in the last decades, yet it is shown here as an irrefutable “observational” effect through computation, specific to any in silico spectra of an eigenproblem; the second level assumes the “frozen spin-orbitals” approximation during the extracting or adding of electrons to the frontier of the chemical system through the ionization and affinity processes, respectively; this approximation is nevertheless workable for great deal of chemical compounds, especially organic systems, and is justified for chemical reactivity and aromaticity hierarchies in an homologue series; the third and the most severe approximation regards the extension of the second one to superior orders of ionization and affinities, here studied at the level of chemical hardness compact-finite expressions up to spectral-like resolution for a paradigmatic set of aromatic carbohydrates.…”
    Get full text
    Article
  6. 13286
  7. 13287

    Freeing the Serial Mechanism Designer from Inverse Kinematic Solvability Constraints by Diana C. W. Friedman, Tim Kowalewski, Radivoje Jovanovic, Jacob Rosen, Blake Hannaford

    Published 2010-01-01
    “…With a fast numerical method and the current levels of computing power, designing a manipulator with closed-form inverse kinematics is no longer necessary. …”
    Get full text
    Article
  8. 13288
  9. 13289
  10. 13290
  11. 13291
  12. 13292
  13. 13293
  14. 13294
  15. 13295
  16. 13296
  17. 13297
  18. 13298
  19. 13299
  20. 13300