The influence of polarization functions on molecular orbital hydrogenation energies

Theoretica Chimica Acta

Volumn 28, Issue 3, 1973, Pages 213-222

  Hariharan, P C ^a   Pople, J A ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748545144     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF00533485     Document Type: Article

References (16)

1. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
2. Configuration Interaction Wavefunctions and Computed Inversion Barriers for NH3 and CH[sub 3]−]
3. Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen