Method of increments for excitations in correlated electron systems Peter Fulde OriginalPaper 20 September 2005 Pages: 255 - 258
On the application of the incremental scheme to ionic solids: test of different embeddings Elena VoloshinaBeate Paulus OriginalPaper 20 September 2005 Pages: 259 - 264
Implicit infinite lattice summations for real space ab initio correlation methods M. Albrecht OriginalPaper 28 September 2005 Pages: 265 - 275
Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids Denis UsvyatMartin Schütz OriginalPaper 28 September 2005 Pages: 276 - 282
Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements Kirk A PetersonCristina Puzzarini OriginalPaper 12 August 2005 Pages: 283 - 296
Improved relativistic energy-consistent pseudopotentials for 3d-transition metals Michael Dolg OriginalPaper 28 September 2005 Pages: 297 - 304
A short-range correlation energy density functional with multi-determinantal reference J. ToulouseP. Gori-GiorgiA. Savin OriginalPaper 28 September 2005 Pages: 305 - 308
Ab initio study of the O2 binding in dicopper complexes Michal F. RodeHans-Joachim Werner OriginalPaper 20 September 2005 Pages: 309 - 317
Understanding solvent effects on hyperfine coupling constants of cyclohexadienyl radicals Michal StrakaMartin KauppEmil Roduner OriginalPaper 30 September 2005 Pages: 318 - 326
Multi-level vibrational SCF calculations and FTIR measurements on furazan Klaus PflügerMonika PaulusGuntram Rauhut OriginalPaper 29 September 2005 Pages: 327 - 332
Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces Sergei N. YurchenkoJürgen BreidungWalter Thiel OriginalPaper 20 September 2005 Pages: 333 - 340
Theoretical study of the C3S molecule A. ZaidiS. LahmarM. Hochlaf OriginalPaper 29 September 2005 Pages: 341 - 349
On the equilibrium structures and the IR active bending vibrations of linear C13 and C15: results of large-scale coupled cluster calculations Peter Botschwina OriginalPaper 23 September 2005 Pages: 350 - 356
A new proposal for the reason of magic numbers in alkali cation microhydration clusters Franziska SchulzBernd Hartke OriginalPaper 20 September 2005 Pages: 357 - 379
Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms Volker KochDirk Andrae OriginalPaper 28 September 2005 Pages: 380 - 386