Approximations to Self-Consistent Field Molecular Wavefunctions
نویسندگان
چکیده
منابع مشابه
Approximations to self-consistent field molecular wavefunctions.
Unparameterized and parameterized versions are outlined of a new method for approximating self-consistent field wavefunctions from first principles at the minimum basis set level for complex molecules containing hydrogen and first-row atoms. The Hartree-Fock self-consistent field equations for closed-shell molecules are solved, retaining all one-electron integrals, and approximating the two-ele...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1972
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.69.3.652