Removal of the bottleneck in local correlation methods

[1]  T. Martínez,et al.  LOCAL WEAK PAIRS SPECTRAL AND PSEUDOSPECTRAL SINGLES AND DOUBLES CONFIGURATION INTERACTION , 1996 .

[2]  Hans-Joachim Werner,et al.  Local treatment of electron correlation in coupled cluster theory , 1996 .

[3]  Richard A. Friesner,et al.  Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies , 1995 .

[4]  T. Martínez,et al.  Pseudospectral multireference single and double excitation configuration interaction , 1995 .

[5]  Peter Pulay,et al.  Efficient elimination of basis set superposition errors by the local correlation method: Accurate ab initio studies of the water dimer , 1993 .

[6]  Richard A. Friesner,et al.  Pseudospectral Hartree–Fock theory: Applications and algorithmic improvements , 1990 .

[7]  Peter Pulay,et al.  The local correlation treatment. II. Implementation and tests , 1988 .

[8]  Peter Pulay,et al.  Fourth‐order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method , 1987 .

[9]  J. Almlöf,et al.  Principles for a direct SCF approach to LICAO–MOab‐initio calculations , 1982 .

[10]  William A. Goddard,et al.  Self‐Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2 , 1972 .

[11]  J. Pople,et al.  Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules , 1972 .

[12]  Joseph G. Hoffman,et al.  Quantum Theory of Atoms, Molecules and the Solid State: A Tribute to John C. Slater , 1967 .

[13]  R A Friesner,et al.  New methods for electronic structure calculations on large molecules. , 1991, Annual review of physical chemistry.

[14]  H. Schaefer.  Methods of Electronic Structure Theory , 1977 .

[15]  Ernest R. Davidson,et al.  Configuration interaction calculations on the nitrogen molecule , 1974 .