Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.432861
Reference18 articles.
1. 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
2. Zero‐Point Vibrational Corrections to One‐Electron Properties of the Water Molecule in the Near‐Hartree—Fock Limit
3. 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
4. Effect of Anharmonic Vibrations on the Bond Lengths of Polyatomic Molecules. I. Model of Force Field and Application to Water
5. Configuration interaction calculations on the nitrogen molecule
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