Convergence property of multireference many-body perturbation theory analyzed by the use of a norm of effective Hamiltonian Haruyuki NakanoShigeru Obara OriginalPaper Pages: 369 - 377
Localization maps by orbital partitioning of the electron density Péter R. SurjánJános PipekBéla Paizs OriginalPaper Pages: 379 - 389
Comparison of the Hartree-Fock, Møller-Plesset, and Hartree-Fock-Slater method with respect to electrostatic properties of small molecules Guus J. M. VeldersDirk Feil OriginalPaper Pages: 391 - 416
Critical test of PM3 calculated gas-phase acidities Peeter BurkIlmar A. Koppel OriginalPaper Pages: 417 - 427
Study of influences of various excitation classes onab initio calculated isotropic hyperfine coupling constants B. Engels OriginalPaper Pages: 429 - 437
Hindered internal rotation in molecular systems: quantum statistics of equilibrium and rate constants in the Wigner function formalism Günter VojtaChristian Zylka OriginalPaper Pages: 439 - 449
