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  1. No Access

    Article

    Structure and dynamics of cationic van-der-Waals clusters

    ArnHCl+ van-der-Waals clusters for n = 1–13 are investigated with the “minimal diatomics-in-molecules (DIM) model” using ab-initio input data obtained from multi-reference configuration-interaction calculations p...

    T. Ritschel, P. J. Kuntz, L. Zülicke in The European Physical Journal D (2007)

  2. No Access

    Article

    Structure and dynamics of cationic van-der-Waals clusters

    A diatomics-in-molecules (DIM) model with ab-initio input data, which in part I successfully described the structure and bonding properties of protonated argon clusters ArnH+, is used here to investigate some as...

    T. Ritschel, Ch. Zuhrt, L. Zülicke, P. J. Kuntz in The European Physical Journal D (2007)

  3. No Access

    Article

    Structure and dynamics of cationic van-der-Waals clusters

    The geometric structure and bonding properties of medium-sized ArnH+ clusters (n = 2–35), in which a proton is wrapped up in a number of Ar atoms, are investigated by applying a diatomics-in-molecules (DIM) mo...

    T. Ritschel, P. J. Kuntz, L. Zülicke in The European Physical Journal D - Atomic, … (2005)

  4. No Access

    Article

    Many-body Green's function theory for thin ferromagnetic anisotropic Heisenberg films: treatment of the exchange anisotropy

    The many-body Green's function theory developed in our previous work for treating the reorientation of the magnetization of thin ferromagnetic films is extended to include the exchange anisotropy. This leads t...

    P. Fröbrich, P.J. Kuntz in The European Physical Journal B - Condense… (2003)

  5. No Access

    Article

    Many-body Green's function theory for the magnetic reorientation of thin ferromagnetic films

    The field-induced reorientation of the magnetization of ferromagnetic films is treated within the framework of many-body Green's function theory by considering all components of the magnetization. We present a...

    P. Fröbrich, P.J. Jensen, P.J. Kuntz… in The European Physical Journal B - Condense… (2000)

  6. No Access

    Article

    Field-induced magnetic reorientation and effective anisotropy of a ferromagnetic monolayer within spin wave theory

    The reorientation of the magnetization of a ferromagnetic monolayer is calculated with the help of many-body Green's function theory. This allows, in contrast to other spin wave theories, a satisfactory calcul...

    P. Fröbrich, P.J. Jensen, P.J. Kuntz in The European Physical Journal B - Condense… (2000)

  7. No Access

    Article

    Fragmentation phase transitions in atomic clusters III

    We discuss the role and the treatment of polarization effects in many-body systems of charged conducting clusters and apply this to the statistical fragmentation of Naclusters. We see a first order microcanoni...

    O. Schapiro, P.J. Kuntz, K. Möhring… in Zeitschrift für Physik D Atoms, Molecules … (1997)

  8. No Access

    Article

    A diatomics-in-molecules model for singly ionized neon clusters

    A minimum-basis diatomics-in-molecules (DIM) model previously developed for singly-ionized argon clusters is applied to neon clusters, Ne n ...

    M. Fieber, A. M. G. Ding, P. J. Kuntz in Zeitschrift für Physik D Atoms, Molecules … (1992)

  9. No Access

    Article

    A DIM model for homogeneous noble gas ionic clusters

    The method of diatomics-in-molecules (DIM) is applied to the calculation of the energy of the homogeneous noble-gas ionic clusters Ar n

    P. J. Kuntz, J. Valldorf in Zeitschrift für Physik D Atoms, Molecules and Clusters (1988)

  10. No Access

    Chapter

    Direct Use of the Diatomics-in-Molecules Method in Large Systems and in Dynamical Calculations

    The rapid calculation of potential energy surfaces is a pre-requisite for dynamical calculations as well as for the investigation of systems having a large number of degrees-of-freedom. Such calculations can b...

    P. J. Kuntz in Selectivity in Chemical Reactions (1988)

  11. No Access

    Article

    A diatomics-in-molecules model for singly-ionized argon clusters

    A DIM model using ab initio input for the diatomic interactions predicts a collinear bound Ar3 + molecule (in agreement with ab initio calculations) and stable clusters Arn + consisting of an Ar3 + ion embedded i...

    J. Heßlich, P. J. Kuntz in Zeitschrift für Physik D Atoms, Molecules and Clusters (1986)

  12. No Access

    Chapter

    Interaction Potentials II: Semiempirical Atom-Molecule Potentials for Collision Theory

    This chapter treats a particular type of semiempirical method suitable for the calculation of potential energy surfaces (PES) which are needed in atom-molecule collision processes. Such surfaces need to be acc...

    P. J. Kuntz in Atom - Molecule Collision Theory (1979)

  13. No Access

    Chapter

    Collision-Induced Dissociation II: Trajectories and Models

    In this chapter we treat collision-induced dissociation (CID) within the framework of classical mechanics. Such an approach is of great practical use not only in the calculation of CID cross sections for their...

    P. J. Kuntz in Atom - Molecule Collision Theory (1979)

  14. No Access

    Chapter

    Features of Potential Energy Surfaces and Their Effect on Collisions

    In this chapter we shall discuss molecular rearrangement collisions that take place on a single potential energy surface. Nonreactive collisions, particularly those involving vibrational energy transfer, are t...

    P. J. Kuntz in Dynamics of Molecular Collisions (1976)