Concepedia
Computational and Theoretical Chemistry · 2015 · 39 citations · 36 references
Crystal StructurePhysicsTheoretical Inorganic ChemistryNatural SciencesQuantum ChemistryChemistryPseudo Jahn–teller EffectMolecular ChemistryCrystallography
36
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.2K citations
Primitive Basis Sets, Engineering, Many-body Quantum Physic +19
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 9.4K citations
Engineering, Gaussian Basis Sets, Computational Chemistry +19
A second order multiconfiguration SCF procedure with optimum convergence
Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1985 · 3.1K citations
Numerical Analysis, Large-scale Global Optimization, Engineering +17
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
Angela K. Wilson, David E. Woon, Kirk A. Peterson et al. · The Journal of Chemical Physics · 1999 · 2.4K citations
Engineering, Many-body Quantum Physic, Atoms Gallium +20
A quadratically convergent MCSCF method for the simultaneous optimization of several states
Hans‐Joachim Werner, Wilfried Meyer · The Journal of Chemical Physics · 1981 · 533 citations
Mathematical Programming, Numerical Analysis, Spectral Theory +20