GLORIA

GEOMAR Library Ocean Research Information Access

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
    On calculations of resonance parameters from stabilization graphs (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 2877-2880 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The performance of the simplest methods that have been proposed to calculate resonance widths using the stabilization method is compared. For the model problem considered here, our method yields accurate results with a minimal computational effort.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461984
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Fully L2 methods for multichannel scattering problems. Partial widths (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 4275-4281 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We analyze the use of L2 discretization methods to calculate, in the framework of the Feshbach theory, partial and total widths of resonances lying in multichannel continua. When interchannel coupling is strong, partial widths cannot be obtained without solving the scattering equations and for this purpose a fully L2 method is proposed, starting from the static exchange approximation as a zeroth order result. For weak interchannel coupling, we study the validity of Born-type approximations and we justify why neglecting this coupling may be appropriate to evaluate total widths even for cases where it is totally inadequate for the corresponding partial ones. The methods proposed are illustrated for moderately strong (He) and weak (O6+) coupling in atomic resonances.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460613
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Core effects in atomic resonances. A comparison between 1,3P 0 (3l 3l') states of He-like and Be-like systems (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 376-380 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report a study of the effect of a 1s2 core on the properties of doubly excited states, choosing as benchmark the two lowest 1,3P0 (3l 3l') resonances of He- and Be-like systems, and using the pseudopotential Feshbach method recently proposed by Martín et al.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457470
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Electron correlation properties of doubly excited states. Berylliumlike vs heliumlike systems (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 5011-5020 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report a detailed study of electron correlation properties of the (3,n) and 1s2(3,n) resonant doubly excited states of He- and Be-like systems. In both cases, angular correlations are almost constant along the isoelectronic series, whereas radial correlations vary with nuclear charge. It is shown that angular configuration mixings in the Z=∞ limit could be used to classify 1s2(3,n) doubly excited states for high and intermediate values of Z. Calculation of their energies as continuous functions of the nuclear charge (Z diagrams) shows the existence of many avoided crossings at low values of Z, so that no systematic classification can be easily obtained for many doubly excited states in that region.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460536
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    A solution to the infrared paradox (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 2891-2896 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The infrared paradox is an inconsistency in the current derivation of the Einstein coefficient for vibrational excitations in molecular spectroscopy. A solution to the paradox is proposed by extending well established developments in the theory of atomic collisions to the case of vibrating molecules. When delay effects are unimportant, the new method does not require any change in the standard calculation of frequencies or intensities—only a reinterpretation of the nuclear wave functions. The improved formalism eliminates the problem of asymptotic couplings in molecular spectroscopy, as well as a basic difficulty in the usual picture of molecular structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465196
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Some properties and pitfalls of the stabilization method: a unified approach (1993)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 1558-1565 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100110a016
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Ab initio calculation of nonadiabatic couplings using MELD (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 2113-2116 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a numerical differentiation technique for the calculation of directional derivatives of electronic wave functions evaluated using a multireference configuration interaction method. The technique has been implemented in the set of programs MELD, and its application is illustrated by calculations of nonadiabatic couplings for the ArH+2 quasimolecule. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469687
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Feshbach-type calculation of autoionizing states of the BeHe4+ quasimolecule (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6927-6936 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In a recent article, we pointed out a fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we point out that for multicharged ions heavier than lithium exit autoionizing atomic channels are open, and the correlation diagram is considerably more complicated. As a prototype for these systems which have considerable experimental interest, we present the energies, radial, and rotational couplings, evaluated with our Feshbach method, for the molecular channels involved in Be4++He collisions, and discuss the correlation diagram in detail. Conclusions are also drawn as to the use of qualitative correlation rules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452392
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Asymmetric approach to Pauson-Khand bicyclization. Enantioselective formal synthesis of hirsutene (1990)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 112 (1990), S. 9388-9389 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00181a048
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Feshbach and pseudopotential theories. A useful analogy (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 6635-6642 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An analogy is drawn between the well-known Feshbach theory on one hand, and on the other the reputedly cruder pseudopotential technique for two-electron atomic and molecular systems. We show how both formalisms can be treated on an equal footing by using a generalized Phillips–Kleinman formalism for the second. Among other benefits stemming from this analogy, the simplicity and versatility of pseudopotential methods can be used to considerably simplify the calculation of positions (couplings) and widths involving two-electron autoionizing atomic (molecular) states.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453449
    Location Call Number Limitation 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...