Numerical Hartree–Fock calculations for N2, FH, and CO: Comparison with optimized LCAO results

Author:

Christiansen Phillip A.,McCullough E. A.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference16 articles.

1. Seminumerical SCF calculations on small diatomic molecules

2. The partial‐wave self‐consistent‐field method for diatomic molecules: Computational formalism and results for small molecules

3. L. Pauling and E. B. Wilson, Jr.,Introduction to Quantum Mechanics(McGraw-Hill, New York, 1935), p. 444.

4. The spherical harmonics are only normalized in spherical polar coordinates. The spheroidal η corresponds to the spherical cosθ.

5. New Developments in Molecular Orbital Theory

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