AbinitioSCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree–Fock limit
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.431596
Reference74 articles.
1. Zero‐Point Vibrational Corrections to One‐Electron Properties of the Water Molecule in the Near‐Hartree—Fock Limit
2. Nuclear corrections to molecular properties. IV. Theory for low‐lying vibrational states of polyatomic molecules with application to the water molecule near the Hartree‐Fock limit
3. Near Hartree‐Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One‐Electron Properties
4. Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O
5. Multiconfiguration Wavefunctions for the Water Molecule
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