Showing 1994Show all
3 papers · 1 filter
cond-mat1994
Structures and Stabilities of H3+(H2)n Clusters (n=1-11)
B. Diekmann, P. Borrmann, E. R. Hilf
Geometries and energies for H3+(H2)n clusters (n = 0, ..., 11) have been calculated using standard "ab initio" methods. Up to clusters with n = 6, four different Pople basis sets (…
cond-mat1994
Magnetism of small transition metal clusters and the effects of isomerisation
Peter Borrmann, Bernd Diekmann, Eberhard R. Hilf +1
We investigate the magnetic properties of small transition metal clusters using a simple statistical model, which requires some input data from ab initio spin-density functional ca…
cond-mat1994
New enhancements to Feynmans Path Integral for fermions
Peter Borrmann, Eberhard R. Hilf
We show that the computational effort for the numerical solution of fermionic quantum systems, occurring e.g., in quantum chemistry, solid state physics, field theory in principle…