GLORIA

GEOMAR Library Ocean Research Information Access

X
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
Filter
  • Engineering General  (5)
  • Nuclear Structure  (5)
  • Open access, Epidemiology  (5)
  • Valence bond (VB) wave functions  (4)
  • Innate Immunity and Inflammation  (3)
Publikationsart
Schlagwörter
Verlag/Herausgeber
Erscheinungszeitraum
  • 1
    Digitale Medien
    Digitale Medien
    Valence bond corrected single reference coupled cluster approach (1994)
    Springer
    Theoretical chemistry accounts 89 (1994), S. 33-57 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Coupled cluster method ; Valence bond (VB) wave functions ; VB corrected CCSD method ; Cluster analysis ; Correlation effects ; PPP Hamiltonian
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The recently proposed valence bond (VB) corrected single reference (SR) coupled cluster method with singly and doubly excited cluster components (CCSD) [Paldus and Planelles, Theor Chim Acta 89, 13–31 (1994)] is tested using a number of simple yet typical Pariser-Parr-Pople (PPP) π-electron model systems, including both cyclic and linear polyenes. The cluster analysis of various approximate VB wave functions, obtained with the PPP-VB approach [Li and Paldus, J Mol Struct (Theochem) 229, 249 (1991)], is carried out and the resulting three- and four-body connected cluster components are employed in the VB corrected CCSD method. The cluster structure and the correlation energies obtained are compared to full configuration interaction (FCI) or full VB (FVB) results, representing the exact solutions for these models, and the performance and potential of the CCSD-VB approach are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01167280
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    Valence bond corrected single reference coupled cluster approach (1994)
    Springer
    Theoretical chemistry accounts 89 (1994), S. 59-76 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Coupled cluster methods ; Valence bond (VB) wave functions ; VB corrected CCSD method ; Cluster analysis ; Correlation effects ; PPP Hamiltonians ; Dissociation ; Bond formation ; Potential energy surfaces
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The valence bond (VB) corrected single reference (SR) coupled cluster (CC) method [J. Paldus and J. Planelles, Theor. Chim. Acta 89, 13–31 (1994)] with Singly and Doubly excited cluster components (CCSD-VB) is applied to simple Parise-Parr-Pople (PPP) model systems that are capable of simulating chemical bond breaking or formation. Dissociation into both closed and open shell type subsystems is considered. The 3- and 4-body connected cluster components are first determined by cluster analyzing simple PPP-VB wave functions [X. Li and J. Paldus, J. Mol. Structure (Theochem) 229, 249 (1991)] involving only covalent-type structures, and are subsequently employed in the CCSD-VB approach. The results are compared with the full configuration interaction (FCI) or full valence bond (FVB) solutions, representing the exact result for these models, and the potential of the CCSD-VB approach is discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01123870
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 3
    Digitale Medien
    Digitale Medien
    Valence bond corrected single reference coupled cluster approach (1994)
    Springer
    Theoretical chemistry accounts 89 (1994), S. 33-57 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Coupled cluster method ; Valence bond (VB) wave functions ; VB corrected CCSD method ; Cluster analysis ; Correlation effects ; PPP Hamiltonian
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The recently proposed valence bond (VB) corrected single reference (SR) coupled cluster method with singly and doubly excited cluster components (CCSD) [Paldus and Planelles, Theor Chim Acta 89, 13–31 (1994)] is tested using a number of simple yet typical Pariser-Parr-Pople (PPP) π-electron model systems, including both cyclic and linear polyenes. The cluster analysis of various approximate VB wave functions, obtained with the PPP-VB approach [Li and Paldus, J Mol Struct (Theochem) 229, 249 (1991)], is carried out and the resulting three- and four-body connected cluster components are employed in the VB corrected CCSD method. The cluster structure and the correlation energies obtained are compared to full configuration interaction (FCI) or full VB (FVB) results, representing the exact solutions for these models, and the performance and potential of the CCSD-VB approach are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01123869
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 4
    Digitale Medien
    Digitale Medien
    Valence bond corrected single reference coupled cluster approach (1994)
    Springer
    Theoretical chemistry accounts 89 (1994), S. 59-76 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Coupled cluster methods ; Valence bond (VB) wave functions ; VB corrected CCSD method ; Cluster analysis ; Correlation effects ; PPP Hamiltonians ; Dissociation ; Bond formation ; Potential energy surfaces
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The valence bond (VB) corrected single reference (SR) coupled cluster (CC) method [J. Paldus and J. Planelles, Theor. Chim. Acta 89, 13–31 (1994)] with Singly and Doubly excited cluster components (CCSD-VB) is applied to simple Parise-Parr-Pople (PPP) model systems that are capable of simulating chemical bond breaking or formation. Dissociation into both closed and open shell type subsystems is considered. The 3- and 4-body connected cluster components are first determined by cluster analyzing simple PPP-VB wave functions [X. Li and J. Paldus, J. Mol. Structure (Theochem) 229, 249 (1991)] involving only covalent-type structures, and are subsequently employed in the CCSD-VB approach. The results are compared with the full configuration interaction (FCI) or full valence bond (FVB) solutions, representing the exact result for these models, and the potential of the CCSD-VB approach is discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01167281
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 5
    Digitale Medien
    Digitale Medien
    Superconvergent patch recovery of finite-element solution and a posteriori L2 norm error estimate (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 313-320 
    Details
    ISSN: 1069-8299
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: In the paper we present a superconvergent patch recovery technique for obtaining higher-order-accurate finite-element solutions and thus a postprocessed type of L2 norm error estimate. Two modifications make our procedure different from the one proposed by Zienkiewicz and Zhu (1992), in which higher-order-accurate derivatives of the finite-element solution at nodes are determined. Firstly, the recovery process is made for element, not for nodes. An ‘element patch’, which represents the union of an element under consideration and the surrounding elements, is introduced. Secondly, the local error estimate is calculated directly from the improved solution for this element. Numerical tests on both 1D and 2D model problems show that this method can provide an asymptotically exact a posteriori L2 norm error estimate if the used element possesses superconvergent points for the solutions.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/cnm.1640100406
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 6
    Digitale Medien
    Digitale Medien
    A simple local error estimator and an adaptive time-stepping procedure for direct integration method in dynamic analysis (1993)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 9 (1993), S. 273-292 
    Details
    ISSN: 1069-8299
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: A simple a posteriori local error estimator for time discretization in structural dynamic analysis is presented. It is derived from the difference of the solutions between an ordinary integration method (the Newmark scheme) and another higher-order one which assumes that the derivatives of accelerations vary linearly within each time step. It may be obtained directly without resolving new equations, so the additional computational cost is small and the implementation is convenient. Furthermore, it is shown that this error estimator may also be obtained by Taylor expansion or by a post-processing technique. Accordingly, an adaptive time-stepping procedure, which automatically adjusts the time-step size so that the local error at each time step is within a prescribed accuracy, is described. Numerical examples, including two single-DOF problems, a two-DOF problem and a multi-DOF model, are presented. The results show that the presented local error estimator is simple, reliable and accurate.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/cnm.1640090402
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 7
    Digitale Medien
    Digitale Medien
    A postprocessed error estimate and an adaptive procedure for the semidiscrete finite element method in dynamic analysis (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3585-3603 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: In the paper we present a postprocessed type of a posteriori error estimate and a h-version adaptive procedure for the semidiscrete finite element method in dynamic analysis. In space the super-convergent patch recovery technique is used for determining higher-order accurate stresses and, thus, a spatial error estimate. In time a postprocessing technique is developed for obtaining a local error estimate for one step time integration schemes (the HHT-α method). Coupling the error estimate with a mesh generator, a h-version adaptive finite element procedure is presented for two-dimensional dynamic analysis. It updates the spatial mesh and time step automatically so that the discretization errors are controlled within specified tolerances. Numerical studies on different problems are presented for demonstrating the performances of the proposed adaptive procedure.
    Zusätzliches Material: 19 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620372102
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 8
    Digitale Medien
    Digitale Medien
    STRUCTURAL DYNAMIC ANALYSIS BY A TIME-DISCONTINUOUS GALERKIN FINITE ELEMENT METHOD (1996)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 39 (1996), S. 2131-2152 
    Details
    ISSN: 0029-5981
    Schlagwort(e): discontinuous Galerkin finite element method ; predictor-multicorrector ; adaptive time integration ; structural dynamics ; Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: This paper studies a time-discontinuous Galerkin finite element method for structural dynamic problems, by which both displacements and velocities are approximated as piecewise linear functions in the time domain and may be discontinuous at the discrete time levels. A new iterative solution algorithm which involves only one factorization for each fixed time step size and a few iterations at each step is presented for solving the resulted system of coupled equations. By using the jumps of the displacements and the velocities in the total energy norm as error indicators, an adaptive time-stepping procedure for selecting the proper time step size is described. Numerical examples including both single-DOF and multi-DOF problems are used to illustrate the performance of these algorithms. Comparisons with the exact results and/or the results by the Newmark integration scheme are given. It is shown that the time-discontinuous Galerkin finite element method discussed in this study possesses good accuracy (third order) and stability properties, its numerical implementation is not difficult, and the higher computational cost needed in each time step is compensated by use of a larger time step size.
    Zusätzliches Material: 20 Ill.
    Materialart: Digitale Medien
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
  • 9
    Digitale Medien
    Digitale Medien
    FINITE ELEMENT METHOD FOR GRADIENT PLASTICITY AT LARGE STRAINS (1996)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 39 (1996), S. 619-633 
    Details
    ISSN: 0029-5981
    Schlagwort(e): gradient plasticity ; strain localization ; mixed strain element method ; large strain ; consistent algorithm ; Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: A finite element method for gradient elasto-plastic continuum in which the yield strength of strain hardening/softening materials not only depends on the effective plastic strain but also on its Laplacian is presented. The consistent integration algorithm to update the stress and the internal state variable at integration points and the consistent compliance matrix for the gradient plasticity are formulated in the non-local sense.The methodology to derive the finite element formulation for the gradient plasticity at large strains presented in this paper is applicable to general finite element analysis; the formulation in the context of the two-dimensional four-noded mixed finite element with one integration point and mean von Mises yield criterion is particularly derived.Numerical examples are tested to demonstrate the capability and performance of the present finite element method at large strain in solving for the strain localization problem.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
  • 10
    facet.materialart.
    Unbekannt
    Identification of high-spin states in the stable nucleus ^{195}Pt (2011)
    American Physical Society (APS)
    Details
    Publikationsdatum: 2011-07-15
    Beschreibung: Author(s): Y. D. Fang, Y. H. Zhang, X. H. Zhou, M. L. Liu, J. G. Wang, Y. X. Guo, X. G. Lei, W. Hua, F. Ma, S. C. Wang, B. S. Gao, S. C. Li, X. L. Yan, L. He, Z. G. Wang, F. Fang, X. G. Wu, C. Y. He, Y. Zheng, Z. M. Wang, Y. Shi, and F. R. Xu Excited states of the stable nucleus 195 Pt have been studied using an in-beam γ -ray spectroscopic technique following the incomplete fusion of 7 Li on an 192 Os target at 44 MeV. A level scheme built on the I π =13/2 + isomer has been established up to I π =33/2 − at an excitation energy of about 2.6 MeV. S... [Phys. Rev. C 84, 017301] Published Thu Jul 14, 2011
    Schlagwort(e): Nuclear Structure
    Print ISSN: 0556-2813
    Digitale ISSN: 1089-490X
    Thema: Physik
    Publiziert von American Physical Society (APS)
    Standort Signatur Einschränkungen Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    PAPER CURRENT
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...