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  • 1
    Electronic Resource
    Electronic Resource
    New method to evaluate atomic electron-repulsion integrals
    Amsterdam : Elsevier
    Journal of Computational Physics 91 (1990), S. 240-245 
    Details
    ISSN: 0021-9991
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Computer Science , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0021-9991(90)90013-Q
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  • 2
    Electronic Resource
    Electronic Resource
    Nuclear matrix elements deduced from N-N phase shifts
    Amsterdam : Elsevier
    Nuclear Physics, Section A 133 (1969), S. 610-624 
    Details
    ISSN: 0375-9474
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0375-9474(69)90560-0
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  • 3
    Electronic Resource
    Electronic Resource
    Modelistic and realistic interactions in the p, sd and pf nuclear shells
    Amsterdam : Elsevier
    Nuclear Physics, Section A 107 (1968), S. 35-48 
    Details
    ISSN: 0375-9474
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0375-9474(68)90721-5
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  • 4
    Electronic Resource
    Electronic Resource
    Interpretation of auxiliary potential method for deducing nuclear matrix elements from N - N scattering data
    Amsterdam : Elsevier
    Physics Letters B 30 (1969), S. 228-230 
    Details
    ISSN: 0370-2693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0370-2693(69)90423-7
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  • 5
    Electronic Resource
    Electronic Resource
    The hydrogen atom in a semi-infinite space limited by a hyperboloidal boundary (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 46 (1993), S. 609-622 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The hydrogen atom in a semi-infinite space limited by a hyperboloidal boundary, with the nucleus at a focus, is investigated as a model of an atom on the surface of a solid. The energy eigenvalues, hyperfine structure, and electric dipole moment of the system are evaluated for different focal distances and eccentricities of the boundary. It is shown that the system tends to become infinitely degenerate at the ionization threshold as the boundary closes in approaching the nucleus. This model includes as special cases the corresponding models in the literature with plane and paraboloidal boundaries. © 1993 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560460503
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  • 6
    Electronic Resource
    Electronic Resource
    Evaluation of relativistic atomic integrals using perimetric coordinates (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 93-97 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calais and Löwdin developed a simple method using the interelectronic distance as an integration variable to treat two-electron integrals occurring in correlated nonrelativistic atomic calculations. This contribution merges their method with a related one to further evaluate two-body integrals occurring in relativistic configuration interaction calculations. © 1997 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Variational calculations for the hydrogen atom confined in spaces with paraboloidal and spheroidal boundaries (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 54 (1995), S. 3-11 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Variational calculations for the lowest-energy states of the hydrogen atom confined in (A) semi-infinite spaces with paraboloidal boundaries, (B) symmetrical boxes with paraboloidal surfaces, and (C) prolate spheroidal boxes were performed with geometry-adapted trial wave functions. Comparisons of variational energies with the exact energies available for the respective geometries provide indications on the reliability of the trial wave functions. This is a necessary and preliminary step to investigate atoms with several electrons in the corresponding confining geometries. © 1995 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560540103
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  • 8
    Electronic Resource
    Electronic Resource
    Vibrational levels and Franck-Condon factors of diatomic molecules via Morse potentials in a box (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 175-186 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This work deals with two shortcomings in the use of Morse potentials to describe energy spectra and transitions of diatomic molecules: (1) Morse's well-known “exact” solution for purely vibrational states includes the unphysical region - ∞ 〈 r 〈 0 of the internuclear separation, and (2) Franck-Condon factors are evaluated in harmonic and anharmonic approximations to the Morse potentials. The method of confining the molecule in a spherical box is developed to obtain (1) purely vibrational energy spectra and eigenvectors of Morse potentials in the physical region 0 ≤ r 〈 ∞, and (2) the corresponding Franck-Condon factors without any additional approximations. The method is applied to Li2, N2, CN, and CO molecules. © 1995 John Wiley & Sons, Inc.
    Additional Material: 11 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560560305
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  • 9
    Electronic Resource
    Electronic Resource
    The helium atom in a semi-infinite space limited by a paraboloidal boundary (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 65 (1997), S. 269-275 
    Details
    ISSN: 0020-7608
    Keywords: Model of atoms on the surface of solids ; electronic structure ; helium atom ; ionization and electric dipole moment under pressure ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ground state of the helium atom in a semi-infinite space limited by a paraboloidal boundary, with the nucleus at the focus, is evaluated variationally. The pressure and electric dipole moment of the semiconfined atom are evaluated as functions of the position of the boundary. Estimates of the boundary positions and pressure variations at the successive ionization thresholds are established.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 269-275, 1997
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Helium atom inside boxes with paraboloidal walls (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 66 (1998), S. 123-130 
    Details
    ISSN: 0020-7608
    Keywords: Model of atoms trapped inside solids ; electronic structure ; helium atom ; pressure ; quadrupole moment ; polarizability of trapped atoms ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ground-state energy of the helium atom inside boxes with paraboloidal walls, with the nucleus at the common focus, is calculated variationally. The variational functions are products of geometry-adapted hydrogenic functions, and the interelectronic Coulomb repulsion is represented through its harmonic expansion in parabolic coordinates. The energy, pressure, quadrupole moment, and polarizability of the atom are determined as functions of the positions of the walls for symmetrical boxes.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66: 123-130, 1998
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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