Electron Correlation Methodology By Angela K. Wilson and Kirk A. Peterson (Eds.)
2007 | 217 Pages | ISBN: 084123843X | PDF | 18 MB
2007 | 217 Pages | ISBN: 084123843X | PDF | 18 MB
Content: Explicitly correlated basis functions for large molecules / Claire C.M. Samson and Wirm Klopper -- Uniform density limit of exchange-correlation energy functionals / John P. Perdew, Jianmin Tao, and Stephan Kümmel -- Self-consistent Hartree-Fock-Wigner calculations: a two-electron-density functional theory / Darragh P. O'Neill and Peter M.W. Gill -- New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking / Piotr Piecuch ... [et al.] -- Bond breaking in quantum chemistry: a comparison of single-and multi-reference methods / C. David Sherrill ... [et al.] -- Breaking the curse of the non-dynamical correlation problem: the spin-flip method / Anna I. Krylov, Lyudmila V. Slipchenko, and Sergey V. Levchenko -- Economical description of electron correlation / Laimutis Bytautas and Klaus Ruedenberg -- Correlation consistent basis sets with relativistic effective core potentials: the transition metal elements Y and Hg / Kirk A. Peterson -- Multilevel methods for thermochemistry and thermochemical kinetics / Benjamin J. Lynch and Donald G. Truhlar -- A nonlocal energy functional derived from the fluctuation-dissipation theorem / Katharine L.C. Hunt -- The protonation site of aniline revisited: a 'torture test' for electron correlation methods / A. Daniel Boese ... [et al.] -- Equilibrium structure of the silicon trimer / John F. Stanton.