A comparison of interatomic potentials for rare gas nanoaggregates
暂无分享,去创建一个
[1] Fernando Pirani,et al. Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects , 2006 .
[2] R. A. Aziz,et al. A highly accurate interatomic potential for argon , 1993 .
[3] R. A. Aziz,et al. The argon and krypton interatomic potentials revisited , 1986 .
[4] Henry Margenau,et al. Theory of intermolecular forces , 1969 .
[5] John W. Hepburn,et al. A simple but reliable method for the prediction of intermolecular potentials , 1975 .
[6] R. Berry,et al. Chaotic dynamics in small inert gas clusters: The influence of potential energy saddles , 1993 .
[7] J. Toennies. On the validity of a modified Buckingham potential for the rare gas dimers at intermediate distances , 1973 .
[8] G. Scoles,et al. Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model , 1982 .
[9] Giacinto Scoles,et al. Intermolecular forces in simple systems , 1977 .
[10] R. Berry,et al. Dynamics and instabilities near the glass transition: From clusters to crystals , 1998 .
[11] K. Tang,et al. A simple theoretical model for the van der Waals potential at intermediate distances. III. Anisotropic potentials of Ar–H2, Kr–H2, and Xe–H2 , 1978 .
[12] R. A. Aziz,et al. The Ne-Ne interatomic potential revisited , 1989 .
[13] S. Evangelisti,et al. Ab initio potentials for weakly interacting systems: Homonuclear rare gas dimers , 2003 .
[14] R. A. Aziz,et al. An examination of ab initio results for the helium potential energy curve , 1991 .
[15] Thomas L. Beck,et al. The interplay of structure and dynamics in the melting of small clusters , 1988 .
[16] Fernando Pirani,et al. Atom–bond pairwise additive representation for intermolecular potential energy surfaces , 2004 .
[17] R. A. Aziz,et al. The repulsive wall of the Ar–Ar interatomic potential reexamined , 1990 .
[18] R. Berry. POTENTIAL SURFACES AND DYNAMICS : WHAT CLUSTERS TELL US , 1993 .
[19] Vincenzo Aquilanti,et al. Phase-space invariants as indicators of the critical behavior of nanoaggregates. , 2004, Physical review letters.
[20] H. H. Chen,et al. An accurate intermolecular potential for argon , 1977 .
[21] J. Doye,et al. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms , 1997, cond-mat/9803344.
[22] R. Berry. Introductory lecture. Clusters, melting, freezing and phase transitions , 1990 .
[23] G. Maitland. A simplified representation of intermolecular potential energy , 1973 .
[24] R. Berry. Many-dimensional potential surfaces: What they imply and how to think about them , 1996 .
[25] F. Gadéa,et al. Isomerization dynamics and thermodynamics of ionic argon clusters. , 2006, The Journal of chemical physics.
[26] J. V. D. Biesen,et al. Angle dependent interaction potentials for NOAr, NOKr and NOXe derived from various total collision cross section data , 1980 .
[27] Vincenzo Aquilanti,et al. Global view of classical clusters: the hyperspherical approach to structure and dynamicsPresented at the Second International Meeting on Photodynamics, Havana, Cuba, February 10???16 2002. , 2002 .
[28] R. A. Aziz,et al. On the Xe-Xe potential energy curve and related properties , 1986 .
[29] K. Tang,et al. Erratum: A simple theoretical model for the van der Waals potential at intermediate distances. I. Spherically symmetric potentials , 1977 .
[30] Vincenzo Aquilanti,et al. Invariant energy partitions in chemical reactions and cluster dynamics simulations , 2006 .