@Article{Kutzelnigg85, author = "W. Kutzelnigg", title = "$r_{12}$-dependent terms in the wave function as closed sums of partial wave amplitudes for large $l$", journal = "Theor. Chim. Acta", volume = 68, pages = 445, year = 1985, comments = { An excellent paper in which the idea of $linear$ $r_{12}$-methods was formulated (to my knowledge) for the first time. Several $r_{12}$-dependent ansatzes were proposed. It is shown that for single-reference problems only the reference wavefunction have to be multiplied by the $g_{12}$-factor to achive VERY fast convergence. Two cases were examined : MP2 and full CI on the ground state of He. CI procedure converged much faster than MP2. Applicability to larger systems (with more than 2 electrons) is discussed. The ways to avoid ``difficult'' integrals are outlined. } } @Article{Kutzelnigg91, author = "W. Kutzelnigg and W. Klopper", title = "Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. {I}. {General} theory.", journal = "J. Chem. Phys.", volume = 94, pages = 1985, year = 1991, comments = { No notes yet. } } @Book{KnuthACP, author = "D.~E.~Knuth", title = "{The Art of Computer Programming}", publisher = "Addison-Wesley", year = 1997, edition = "Third", address = "Reading, MA" } @Article{Klopper92, author = "W. Klopper and {R. R\"{o}hse}", title = "Computation of some new two-electron {Gaussian} integrals.", journal = "Theor. Chim. Acta", year = 1992, volume = 83, pages = 441, } @Misc{Libint1, author = "J.~T.~Fermann and E.~F.~Valeev", title = "{Libint: Machine-generated library for efficient evaluation of molecular integrals over Gaussians}", howpublished = "", note = "Freely available at {\tt http://www.ccmst.gatech.edu/evaleev/libint/} or one of the authors.", year = 2003 } } @Article{Valeev00:r12ints, author = "E. F. Valeev and H. F. Schaefer", title = "Evaluation of two-electron integrals for explicit $r_{12}$ theories", journal = "J. Chem. Phys.", year = 2000, volume = 113, pages = 3990 } @Article{Head-Gordon88, author = "M. Head-Gordon and J. A. Pople", journal = "J. Chem. Phys.", title = "A method for 2-electron {Gaussian} integral and integral derivative evaluation using recurrence relations.", year = 1988, volume = 89, pages = 5777, comments = { HGP improved Obara-Saika recursion relations by introducing VRR(work for uncontracted classes only) and HRR (work for contracted classes). } } @Article{Obara86, author = "S. Obara and A. Saika", title = "Efficient recursive computations of molecular integrals over {Cartesian Gaussian} functions.", journal = "J. Chem. Phys.", year = 1986, volume = 84, pages = 3963 } @Article{Gill91, author = "P. M. W. Gill and J. A. Pople", title = "The PRISM algorithm for 2-electron integrals.", journal = "Int. J. Quantum Chem.", year = 1991, volume = "40", pages = 753 } @PhdThesis{Fermann96:PhD, author = "J. T. Fermann", title = "Efficient implementation of vertical recursion relations for the generation of electron repulsion intgerals.", school = "University of Georgia", year = 1996 }