ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • Generalized gradient operator  (1)
  • Normal vibrations  (1)
  • Springer  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Symmetry adaption (1978)
    Springer
    Theoretical chemistry accounts 49 (1978), S. 211-222 
    Details
    ISSN: 1432-2234
    Keywords: Force constants ; Symmetry coordinates ; Normal vibrations ; Tetrahedral molecule
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The matrix of force constants of a symmetric molecule is reduced to its invariants (nearly diagonal form). For the case of distance dependent potentials these invariants are expressed by the derivations of the potentials and geometric factors. For the purpose of parametrization the inversions of these formulae are derived. The general equilibrium condition and the elimination of the translational and rotational coordinates are discussed. The example of the tetrahedral AB4 structure is worked out.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00550032
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    The multi-centre integrals of derivative, spherical GTOs (1980)
    Springer
    Theoretical chemistry accounts 54 (1980), S. 323-332 
    Details
    ISSN: 1432-2234
    Keywords: Multi-centre integrals ; Gauss-Laguerre orbitals ; Talmi-Transformation ; Generalized gradient operator
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The multi-centre integrals of the orbital system Δ n Y lm (∇) exp (−r 2) are evaluated using the Talmi transformation of nuclear shell theory. The integrals are simpler than those of the systems r 2n Y lm(r) exp (−r 2), x l y m z n exp (−r 2), (∂/∂x) l (∂/∂y) m (∂/∂z) n exp (−r 2) and the spherical oscillator functions. The integral types investigated are: overlap, electric dipole transition (momentum operator), kinetic energy, three-centre nuclear attraction, four-centre electronic repulsion, three-centre spin-orbit coupling, and magnetic dipole transition (three-centre integrals of the angular momentum operator).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00552466
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...