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@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
}
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