Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model

Chemical Physics

Volumn 71, Issue 1, 1982, Pages 41-49

  Ruedenberg, Klaus ^a   Schmidt, Michael W ^a   Gilbert, Mary M ^a   Elbert, S T ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002265510     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(82)87004-3     Document Type: Article

References (33)

1. Electronic rearrangements during chemical reactions. II. Planar dissociation of ethylene
2. Electron Correlation and Separated Pair Approximation in Diatomic Molecules. II. Lithium Hydride and Boron Hydride
3. Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2
4. A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method
5. Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives
6. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
7. MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem