Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states P. PiecuchK. KowalskiM. Musiał Feature Article 01 July 2004 Pages: 349 - 393
Analytical Hartree–Fock gradients with respect to the cell parameter for systems periodic in three dimensions K. DollR. DovesiR. Orlando OriginalPaper 23 July 2004 Pages: 394 - 402
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5d elements Hf–Hg Kenneth G. Dyall OriginalPaper 16 November 2004 Pages: 403 - 409
Improving numerical integration through basis set expansion Dew A. McCormackEvert Jan BaerendsNicholas C. Handy OriginalPaper 22 November 2004 Pages: 410 - 418
Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered Robert PonecGleb YuzhakovDavid L. Cooper OriginalPaper 22 July 2004 Pages: 419 - 430
Approximate formulas for the characteristics of interelectronic angle densities Toshikatsu Koga OriginalPaper 28 July 2004 Pages: 431 - 434
Subshell-pair interelectronic angles of atoms in momentum space Hisashi MatsuyamaToshikatsu Koga OriginalPaper 28 July 2004 Pages: 435 - 441
A parallelized integral-direct second-order Møller–Plesset perturbation theory method with a fragment molecular orbital scheme Yuji MochizukiTatsuya NakanoKazuo Kitaura OriginalPaper 14 October 2004 Pages: 442 - 452
Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs Miroslav KohoutKatarzyna PernalYuri Grin OriginalPaper 13 November 2004 Pages: 453 - 459