A new, fast, semi-direct implementation of linear scaling local coupled cluster theory
暂无分享,去创建一个
[1] P Pulay,et al. Local Treatment of Electron Correlation , 1993 .
[2] Benny G. Johnson,et al. Linear scaling density functional calculations via the continuous fast multipole method , 1996 .
[3] Peter Pulay,et al. An efficient reformulation of the closed‐shell self‐consistent electron pair theory , 1984 .
[4] Roland Lindh,et al. Integral-direct electron correlation methods , 1999 .
[5] Martin Schütz,et al. Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T) , 2000 .
[6] Frederick R. Manby,et al. The Poisson equation in density fitting for the Kohn-Sham Coulomb problem , 2001 .
[7] Peter Pulay,et al. Localizability of dynamic electron correlation , 1983 .
[8] Christian Ochsenfeld,et al. Linear and sublinear scaling formation of Hartree-Fock-type exchange matrices , 1998 .
[9] Peter Pulay,et al. Fourth‐order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method , 1987 .
[10] Peter Pulay,et al. The local correlation treatment. II. Implementation and tests , 1988 .
[11] R. Bartlett,et al. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples , 1982 .
[12] Hans-Joachim Werner,et al. Local treatment of electron correlation in coupled cluster theory , 1996 .
[13] Peter Pulay,et al. Orbital-invariant formulation and second-order gradient evaluation in Møller-Plesset perturbation theory , 1986 .
[14] Michael J. Frisch,et al. Achieving Linear Scaling for the Electronic Quantum Coulomb Problem , 1996, Science.
[15] J. Almlöf,et al. Integral approximations for LCAO-SCF calculations , 1993 .
[16] Paul G. Mezey,et al. A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions , 1989 .
[17] S. J. Cole,et al. Towards a full CCSDT model for electron correlation , 1985 .
[18] R. Lindh,et al. On the significance of the trigger reaction in the action of the calicheamicin γ1I anti-cancer drug , 1997 .
[19] Martin Head-Gordon,et al. Quadratic configuration interaction. A general technique for determining electron correlation energies , 1987 .
[20] Georg Hetzer,et al. Low-order scaling local electron correlation methods. I. Linear scaling local MP2 , 1999 .
[21] Martin Schütz,et al. Low-order scaling local electron correlation methods. V. Connected triples beyond (T): Linear scaling local CCSDT-1b , 2002 .
[22] Hans-Joachim Werner,et al. A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods , 1992 .
[23] Wilfried Meyer,et al. Theory of self‐consistent electron pairs. An iterative method for correlated many‐electron wavefunctions , 1976 .
[24] M. Head‐Gordon,et al. A fifth-order perturbation comparison of electron correlation theories , 1989 .
[25] Benny G. Johnson,et al. THE CONTINUOUS FAST MULTIPOLE METHOD , 1994 .
[26] T. H. Dunning. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .
[27] Hans-Joachim Werner,et al. Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD) , 2001 .
[28] Peter Pulay,et al. Local configuration interaction: An efficient approach for larger molecules , 1985 .