The effect of electronic correlation on molecular wavefunctions

[1]  Michael W. Schmidt,et al.  Intraatomic correlation correction in the FORS model , 1985 .

[2]  Goddard,et al.  Modified generalized valence-bond method: A simple correction for the electron correlation missing in generalized valence-bond wave functions; Prediction of double-well states for Cr2 and Mo2. , 1985, Physical review letters.

[3]  P. Hiberty,et al.  Valence-bond description of conjugated molecules. III: The through-resonance concept in para-substituted nitrobenzenes , 1984 .

[4]  P. Pernot,et al.  Valence-bond calculations with polarized atomic orbitals , 1984 .

[5]  E. Magnusson.  sp Hybridization reconsidered: the composition of orbitals in main-group hydrides , 1984 .

[6]  E. Magnusson.  sp Hybridization reconsidered: effect of substitution on the utilization of s and p orbitals , 1984 .

[7]  Michael W. Schmidt,et al.  Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model , 1982 .

[8]  Michael W. Schmidt,et al.  Are atoms sic to molecular electronic wavefunctions? II. Analysis of fors orbitals , 1982 .

[9]  Michael W. Schmidt,et al.  Are atoms intrinsic to molecular electronic wavefunctions? III. Analysis of FORS configurations , 1982 .

[10]  Peter Fulde,et al.  On the computation of electronic correlation energies within the local approach , 1980 .

[11]  B. Roos,et al.  A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach , 1980 .

[12]  B. Brooks,et al.  The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications , 1979 .

[13]  P. Hiberty,et al.  Expansion of molecular orbital wave functions into valence bond wave functions. A simplified procedure , 1978 .

[14]  W. Meerts,et al.  Electric and magnetic properties of carbon monoxide by molecular-beam electric-resonance spectroscopy , 1977 .

[15]  W. Goddard,et al.  Generalized valence bond description of bonding in low-lying states of molecules , 1973 .

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

[17]  R. Berry,et al.  Covalent and ionic character in ground and excited states of benzene , 1967 .

[18]  R. Berry.  Conjugation and Polar Effects in Butadiene , 1959 .

[19]  R. D. Harcourt.  Valency structures for N2O4 part II , 1966 .

[20]  R. D. Harcourt.  Valency structures for N2O4 , 1964 .