Library

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
  • 1
    Electronic Resource
    Electronic Resource
    Projection operator formalism for the characterization of molecular eigenstates: Application to a 3:4 resonant system (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7772-7779 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A projection operator formalism is used to quantify the normal/resonant character of eigenstates of a vibrational Hamiltonian with two degrees of freedom. We show how the application of the formalism quantifies the resonant character of these eigenstates, in the form of a probability, and how this probability is related to the width of the resonance in classical phase space. Normal and resonant quantum numbers shared by a given eigenstate are found to be canonically related.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457244
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Fully complex implementation of the Robert–Bonamy formalism: Half widths and line shifts of H2O broadened by N2 (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 5711-5721 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The complex semiclassical formalism of Robert and Bonamy is used to calculate both half widths and line shifts for water vapor in a bath of nitrogen. The assumed intermolecular potential is a combination of electrostatic, Lennard-Jones 6-12 atom–atom, induction, and dispersion terms. The complex valued resonance functions have been previously evaluated when the assumed potential was electrostatic only. In this work these functions are evaluated when the potential is extended to include the atom–atom terms. Calculations made in the 3ν1+ν3 vibrational band of H2O are in good agreement with experimental results for both the half width and line shifts. It is shown that the imaginary parts are important for both the line shift and half width calculations. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472416
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Pressure-induced widths and shifts for the ν3 band of methane (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 9412-9421 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Widths and shifts of methane lines perturbed by nitrogen are calculated using a complex-valued implementation of Robert–Bonamy (RB) theory. The static intermolecular potential is described as a sum of electrostatic forces and Lennard-Jones (6-12) atom–atom terms, using literature values for all physical parameters. Vibrational dependence of the isotropic potential is obtained from the polarizability of methane assuming a dispersion interaction. The repulsive part of the Lennard-Jones accounts for the greatest part of widths, while dispersion interactions are largely responsible for shifts. Although the average error between calculated and observed linewidths (up to J=8) is less than 6%, their distribution suggests the influence of interactions not described in the present theory. © 1994 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467972
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Classical resonances, Fermi resonances, and canonical transformations for three nonlinearly coupled oscillators (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6295-6308 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Classical resonances arising from the interaction of three nonlinearly coupled oscillators are studied from both a theoretical and numerical perspective. In particular, our study focuses on ternary classical resonances defined by n1ω1 +n2ω2 −n3ω3 =0. We discuss some of the experimental and quantum mechanical consequences of binary and ternary classical resonances (e.g., Fermi resonances and vibration–rotation coupling). Numerically we show that it is possible to construct a three-dimensional map such that ternary classical resonances can be systematically found. Theoretically, we show that canonical transformations exist between resonant and nonresonant motion. These transformations predict various structural features of the three-dimensional numerical maps which are subsequently observed in a model numerical calculation. Finally we argue that the methods and ideas presented in this paper are generic and can be used for more general systems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452466
    Library Location Call Number Volume/Issue/Year 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...