Wissenschaftliche Publikationen des AK Meyer

(1966-1989)

zu: (1990-heute)

  1. Eine neue Interpretation von Antiteilchen.
    F. Bopp, H. Genz, B. Eichenauer und W. Meyer
    Acta Phys. Austriaca 22, 210 (1966)

  2. Calculation of the Fermi contact hyperfine splitting for small atoms and molecules.
    W. Meyer
    J. Chem. Phys. 51, 5149 (1969)

  3. Berechnung von Grund- und angeregten Zuständen der Radikale BH2, C2H und N2H und ihre Vibrationsspektren. W. Meyer
    Dissertation und Arbeitsbericht Quantenchemie des MPI für Physik und Astrophysik. Heft 10 (1969)

  4. Berechnung der isotropen Kopplungskonstanten für die Wechselwirkung zwischen den Kernspins in HD. W. Meyer
    Z. Physik 229, 452 (1969)

  5. Ab initio calculation of the force field of Ethylene.
    P. Pulay and W. Meyer
    J. Mol. Spectrosc. 40, 59 (1971)

  6. Ionization energies of water from PNO-CI calculations
    W.Meyer
    Int. J. Quant. Chem. S5, 341 (1971)

  7. Near Hartree-Fock calculations of the force constants and dipole moment derivatives in Methane.
    W. Meyer and P. Pulay
    J. Chem. Phys. 56, 2109 (1972)

  8. Force constants and dipole moment derivatives of Ammonia from Hartree-Fock calculations.
    P. Pulay and W. Meyer
    J. Chem. Phys. 57, 3337 (1972)

  9. Eine Konfigurations-Wechselwirkungs-Methode auf der Basis von nichtorthogonalen Orbitalen, und Anwendungen auf Ionisierungsenergien und Energieflächen von kleinen Molekülen.
    Habilitationsschrift, Januar 1973

  10. PNO-CI studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals and application to the ground state and ionized states of methane.
    W. Meyer
    J. Chem. Phys. 58, 1017 (1973)

  11. Correlation effects on energy curves for proton transfer. The cation [H5O2] +.
    W. Meyer, W. Jakubetz and P. Schuster
    Chem. Phys. Lett. 21, 97 (1973)

  12. Potential curves for proton transfer along hydrogen bonds.
    P. Schuster, G. Beier, W. Jakubetz, W. Meyer and B. M. Rode
    Proc. of the Jerusalem Symposium on Potential Surfaces (1973)

  13. Comparison of ab initio force constants of Ethane, Ethylene and Acetylene.
    P. Pulay and W. Meyer
    J. Mol. Phys. 27, 473 (1973)

  14. Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of Formaldehyde.
    W. Meyer and P. Pulay
    Theoret. Chim. Acta (Berl.) 32, 253 (1973)

  15. PNO-CI and CEPA studies of electron correlation effects. II. Potential curves and dipole moment functions of the OH radical.
    W. Meyer
    Theoret. Chim. Acta (Berlin) 35, 277 (1974)

  16. Molecular spectroscopic constants by the Coupled Electron Pair Approach (CEPA).
    W. Meyer
    Proceedings of the SCR Atlas Symposium 4, Oxford (1974)

  17. Chemical reaction kinematics: Reactions of NH3, NH2+ and NH+ with hydrogen and with HD.
    G. Eisele, A. Henglein, P. Botschwina and W. Meyer
    Berichte der Bunsengesellschaft 78, 1090 (1974)

  18. PNO-CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides.
    W. Meyer and P. Rosmus
    J. Chem. Phys. 63, 2356 (1975)

  19. A semi-empirical extrapolation technique for atomic and molecular properties derived from correlated wavefunctions.
    E. L. Mehler and W. Meyer
    Chem. Phys. Lett. 38, 144 (1976)

  20. PNO-CI and PNO-CEPA studies of electron correlation effects. V. Static dipole polarizibilities of small molecules.
    H. Werner and W. Meyer
    Mol. Phys. 31, 855 (1976)

  21. Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms.
    H. Werner and W. Meyer
    Phys. Rev. A 13, 13 (1976)

  22. Finite perturbation calculation for the static dipole polarizabilities of the atoms Na through Ca.
    E. Reinsch and W. Meyer
    Phys. Rev. A 14, 915 (1976)

  23. Force constants and equilibrium geometries in H2O2 and other small molecules containing an OH group.
    P. Botschwina, A. Semkow and W. Meyer
    J. Chem. Phys. 15, 25 (1976)

  24. A PNO-CEPA calcuation of the barrier height for the collinear atom exchange reaction Cl' + HCl -> Cl'H + Cl
    P. Botschwina and W. Meyer
    Chem. Phys. Lett. 44, 449 (1976)

  25. Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions.
    W. Meyer
    J. Chem. Phys. 64, 2901 (1976)

  26. A theory of self-consistent electron pairs. Computational methods and preliminary applications.
    C.E. Dykstra, H.F. Schaefer and W. Meyer
    J. Chem. Phys. 65, 2740 (1976)

  27. Electron correlation in small metal clusters.
    C.E. Dykstra, H.F. Schaefer and W. Meyer
    J. Chem. Phys. 65, 5141 (1976)

  28. Dynamic multipole polarizabilities of H2 and He and long-range interaction coefficients for H2-H2, H2-He and He-He. W. Meyer
    J. Chem. Phys. 17, 27 (1976)

  29. Spectroscopic constants and the dipole moment function for the 1(Sigma)+ ground state of NaLi.
    P. Rosmus and W. Meyer
    J. Chem. Phys. 65, 492 (1976)

  30. PNO-CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first-row and second-row diatomic hydrides and spectroscopic constants of their ions.
    P. Rosmus and W. Meyer
    J. Chem. Phys. 66, 13 (1977)

  31. PNO-CEPA calculation of collinear potential energy barriers for thermoneutral exchange reactions.
    P. Botschwina and W. Meyer
    J. Chem. Phys. 20, 43 (1977)

  32. A PNO-CEPA calculation of the barrier height for the collinear atom exchange reaction H' + BrH -> H'Br + H.
    P. Botschwina and W. Meyer
    J. Chem. Phys. 67, 2390 (1977)

  33. Configuration expansion by means of pseudonatural orbitals.
    W. Meyer
    in "Modern Theoretical Chemistry: Electronic Structure Theory", ed. H. F. Schaefer, Plenum Publ. Corp. (1978)

  34. Cubic force constants and equilibrium geometry of methane from Hartree-Fock and correlated wavefunctions.
    P. Pulay, W. Meyer and J. E. Boggs
    J. Chem. Phys. 68, 5077 (1978)

  35. PNO-CI and CEPA studies of electron correlation effects. VI. Electron affinities of the first-row and second-row diatomic hydrides and the spectroscopic constants of their negative ions.
    P. Rosmus and W. Meyer
    J. Chem. Phys. 69, 2745 (1978)

  36. Finite perturbation calculation of static quadrupole and mixed dipole-octupole polarizabilities for the ground states of the first-row atoms.
    E. A. Reinsch and W. Meyer
    Phys. Rev. A 18, 1793 (1978)

  37. Non standard variational methods.
    W. Meyer
    in: "Post Hartree Fock: Configuration Interaction", ed. W. A. Lester, National Resource for Computation in Chemistry (1978)

  38. Theoretical studies of H2-H2 collisions I. Elastic scattering of ground state para-and ortho-H2 in the rigid rotor approximation.
    J. Schaefer and W. Meyer
    J. Chem. Phys. 70, 344 (1979)

  39. Ab initio SCF and CEPA investigations of stable lithium clusters.
    H.-O. Beckmann, J. Koutecky, P. Botschwina and W. Meyer
    J.Chem. Phys. 67, 119 (1979)

  40. A quadratically convergent multiconfiguration-self-consistent field method with simultaneous optimization of orbitals and CI coefficients.
    H. J. Werner and W. Meyer
    J. Chem. Phys. 73, 2342 (1980)

  41. Refined ab-initio calculation of the potential energy surface of the He-H2 interaction with special emphasis to the region of the van der Waals minimum.
    W. Meyer, P. C. Hariharan and W. Kutzelnigg
    J. Chem. Phys. 73, 1880 (1980)

  42. Computed physical properties of small molecules.
    W. Meyer, P. Botschwina, P. Rosmus and H.-J. Werner
    in: "Computational Methods in Chemistry", Ed. J. Bargon, Plenum Publ. Corp. 1980

  43. Collisions of excited Na atoms with H2 molecules I. Ab initio potential energy surfaces and qualitative discussion of the quenching process.
    P. Botschwina, W. Meyer, I.V. Hertel and W. Reiland
    J. Chem. Phys. 75, 5438 (1981)

  44. Comments on the dissociation energies of the AH+ ground states.
    P. Rosmus and W. Meyer
    J. Chem. Phys. 74, 4217 (1981)

  45. Theoretical investigation of rotational rainbow structures in X-Na2 collisions using CI potential surfaces. I: Rigid rotor X=He scattering and comparison with state-to-state-experiments.
    R. Schinke, W. Müller, W. Meyer and P. McGuire
    J. Chem. Phys. 74, 3916 (1981)

  46. A quadratically convergent MCSCF method for the simultaneous optimization of several states.
    H.-J. Werner and W. Meyer
    J. Chem. Phys. 74, 5794 (1981)

  47. MCSCF study of the avoided curve crossing of the two lowest 1(Sigma)+ states of LiF.
    H.-J. Werner and W. Meyer
    J. Chem. Phys. 74, 5802 (1981)

    Quadratic convergent MCSCF method and coupled perturbed MCSCF theory.
    W. Meyer and H.-J. Werner
    CCPL Quaterly Newsletter on Electron Correlation, Science Research Council, Daresbury (1981)

  48. Theoretical investigation of rotational rainbow structures in X-Na2 collisions using CI potential surfaces. III. Rigid rotor X = Ne scattering.
    R. Schinke, W. Mueller and W. Meyer
    J. Chem. Phys. 76, 895 (1982)

  49. Angulary resolved rotationally inelastic scattering of Na2-Ne: Comparison between experiment and theory.
    P. L. Jones, U. Hefter, A. Mattheus, J. Witt, K. Bergmann, W. Mueller, W. Meyer and R. Schinke
    Phys. Rev. A 26, 1283 (1982)

  50. Spectroscopic properties of the methyl radical calculated from UHF-SCEP wavefunctions.
    P. Botschwina, J. Flesch and W. Meyer
    J. Chem. Phys. 74, 321 (1983)

  51. Treatment of intershell correlation effects in ab initio calculations by use of core polarization potentials Method and applications to alkali and alkaline earth atoms.
    W. Müller, J. Flesch and W. Meyer
    J. Chem. Phys. 80, 3297 (1984)

  52. Ground-state properties of alkali dimers and their cations (including the elements Li, Na, and K) from ab initio calculations with effective core polarization potentials.
    W. Mueller and W. Meyer
    J. Chem. Phys. 80, 33311 (1984)

  53. PNO-CEPA and MCSCF-SCEP calculations of transition probabilities in OH, HF+ and HCl+.
    H.-J. Werner, P. Rosmus, W. Schaetzl and W. Meyer
    J. Chem. Phys. 80, 831 (1984)

  54. Excitation of laser state-prepared Na*(3p) to Na*(3d) in low-energy collisions with Na+: experiment and calculations of the potential curves of Na2+.
    A. Baehring, I.V. Hertel, E. Meyer, W. Meyer, N. Spies and H. Schmidt
    J. Phys. B:,At. Mol. Phys. 17, 325 (1984)

  55. An efficient reformulation of the closed-shell-self-consistent electron pair theory.
    P. Pulay, S. Saebo and W. Meyer
    J. Chem. Phys. 81, 1901 (1984)

  56. Collision induced dipole radiation of normal hydrogen gas in the frequency range of the cosmic backround.,
    J. Schaefer and W. Meyer
    in: "Atomic and Molecular Collisions" ed. J. Eichler, I.V. Hertel, N. Stolterfoth, Elsevier Science Publishers (1984)

  57. The method of self consistent electron pairs. A matrix oriented direct CI.
    W. Meyer, R. Ahlrichs and C. Dykstra
    in: "Advanced Theories and Computational Approaches to the Electronic Structure of Molecules"., Plenum Publish. Corp. (1984)

  58. Potential energy curves for ground and excited states of NaLi from ab initio calculations with effective core polarization potentials.
    I. Schmidt-Mink, W. Mueller and W. Meyer
    Chem. Phys. Lett. 112, 120 (1984)

  59. Quadrupole moment functions and trasition moment functions of Li2. Schmidt-Mink, W. Mueller and W. Meyer
    Technical Report, SFB 91, University of Kaiserslautern (1984)

  60. Ab initio calculations of collision induced dipole moments.
    W. Meyer
    in: "Phenomena Induced by Intermolecular Interactions." ed. G. Birnbaum,Reidel Publish, Comp. (1985)

  61. Ground- and excited-state properties of Li2 and Li2+ from ab initio calculations with effective core polarization potentials.
    I. Schmidt-Mink, W. Mueller and W. Meyer
    J. Chem. Phys. 92, 263 (1985)

  62. Predissociation lifetimes of the b3(PI)u state of Li2 and the accidental predissociation of its A1(Sigma)u+ state.
    I. Schmidt-Mink and W. Meyer
    Chem. Phys. Lett. 121, 49 (1985)

  63. Ab initio calculation of near-equilibrium potential and multipole moment surfaces and vibrational frequencies of H3+ and its isotopomers.
    W. Meyer, P. Botschwina and P. Burton
    J. Chem. Phys. 84, 891 (1986)

  64. Ab initio calculation of the dipole moment of He-Ar and the collision induced absorption spectra.
    W. Meyer and L. Frommhold
    Phys. Rev. A 33, 3807 (1986)

  65. Collision-induced rototranslational spectra of H2-He from an accurate ab initio dipole moment surface.
    W. Meyer and L. Frommhold
    Phys. Rev. A 34, 2771 (1986)

    Collision-induced rototranslational spectra of H2-Ar from an accurate ab initio dipole-moment

  66. surface.
    W. Meyer and L. Frommhold
    Phys. Rev. A 34, 2936 (1986)

  67. Static dipole polarizabilities of Li2, Na2 and K2.
    W. Mueller and W. Meyer
    J. Chem. Phys. 85, 953 (1986)

  68. Quadrupole moment functions, transition moment functions and lifetimes for excited states of Na2.
    I. Schmidt-Mink, W. Mueller and W. Meyer
    Technical Report, SFB 91, University of Kaiserslautern (1986)

  69. Experimental and theoretical study of Penning and associative ionization of He(23S) + H(3S).
    H. Waibel, M.-W. Ruf, H. Hotop and W. Meyer
    Abstract of papers, Xth ICAP (1986)

  70. Collision-induced rotovibrational spectra of H2-He pairs from first principles.
    L. Frommhold and W. Meyer
    Phys. Rev. A 35, 632 (1987)

  71. New Oscillatory Structure in Electron Energy Spectra from Autoionizing Quasimolecules: Subthermal Collisions of He(23S) Atoms with He(21S, 23S) Atoms
    M.W. Müller, W. Bussert, M.-W. Ruf, H. Hotop and W. Meyer
    Abstract of papers, XVI ICPEAC,
    and in Phys. Rev. Lett. 59, 20 (1987)

  72. A theoretical and experimental investigation of the predissociative line shifts of the b3(Pi)u state of Li2.
    I. Schmidt, W. Meyer, B. Krüger and F. Engelke
    Chem. Phys. Let., 143, 4 (1988)

  73. Dipoles induced by the interactions of HD with He, Ar, H2 or HD
    A. Borysow, L. Frommhold and W. Meyer
    J. Chem. Phys. 88, 4855 (1988)

  74. Rototranslational absorption spectra of H2-H2 pairs in the far infrared.
    W. Meyer, L. Frommhold and G. Birnbaum
    Phys. Rev. A 39, 2434 (1989)

  75. Absorption Spectra of H2-H2 Pairs in the Fundamental Band of H2. W. Meyer, A. Borysow and L. Frommhold
    Phys. Rev. A 40, 6931 (1989)

  76. Substantial Angular Dependence of the Electron Energy Spectra for Attractive Penning Ionization Systems: He(23S,21S) + Li(22S).
    A. Merz, M.W. Müller, M.-W. Ruf, H. Hotop, M. Movre and W. Meyer
    Chem. Phys. Lett. 160, 377 (1989)

  77. Ground- and Excited-State Properties of NaLi+ and Dipole Moment Functions and Radiative Lifetimes of Nali from ab-initio Calculations with Effective Core Polarization Potentials. I. Schmidt, W. Müller and W. Meyer
    Technical Report, SFB 91, University of Kaiserslautern, 1989

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