Preface.
Part I: Density Matrices and Density Functionals.
Are exact Kohn-Sham potentials equivalent to local functions? R.K. Nesbet, R. Colle. A theory of exact exchange relations for a single excited state; À. Nagy. Correlation energy contributions from low-lying states to density functionals in the KLI approximation; C. Gutle, et al. Orbital local-scaling transformation approach to fermionic systems in the ground state; Ya.I. Delchev, et al. Reduced density matrix treatment of spin-orbit interaction terms in many-electron systems; R.L. Pavlov, et al.
Part II: Electron Correlation Treatments.
Many-electron Sturmians applied to atoms and ions in strong external fields; J. Avery, C. Coletti. An implementation of the configuration-selecting multireference configuration-interaction method on massively parallel architectures; P. Stampfuß, W. Wenzel. Comments on the basis sets used in recent studies of electron correlation in small molecules; S. Wilson, et al.
Part III: Relativistic Formulations and Effects.
Relativistic quantum mechanics of atoms and molecules; H.M. Quiney. Variational principle in the Dirac theory: spurious solutions, unexpected extrema and other traps; M. Stanke, J. Karwowski. Relativistic multireference many-body perturbation theory; M.J. Vilkas, et al. Relativistic valence-bond theory and its application to metastable Xe2; S. Kotochigova, et al. Relativistic quantum chemistry of superheavy transactinide elements; G.L. Malli.
Part IV: Valence Theory.
The nature of binding in HRgY compounds (Rg = Ar, Kr, Xe; Y = F, Cl) based on the topological analysis of the electron localisation function (ELF); S. Berski, et al. Symmetry separated (sigma+pi vs bent bond (Omega) models offirst-row transition-metal methylene cations; F. Ogliaro, et al. Hartree-Fock study of hydrogen-bonded systems in the absence of basis-set superposition error: the nucleic-acid base pairs; A. Famulari, et al. Proton transfer and non-dynamical correlation energy in model molecular systems; H. Chojnacki.
Part V: Nuclear Motion.
Large-amplitude motions in electronically excited states: a study of the S1 excited state of formic acid; L.M. Beaty-Travis, et al. Ab-Initio harmonic analysis of large-amplitude motions in ethanol dimers; M.L. Senent, et al. Vibrational first hyperpolarizability of methane and its fluorinated analogs; O. Quinet, B. Champagne. Staggering effects in nuclear and molecular spectra; D. Bonatsos, et al.
Contents of Volume 2.
Combined Index to Volumes 1 and 2.
