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University of Nebraska - Lincoln

Gordon Gallup Publications

1969

Articles 1 - 2 of 2

Full-Text Articles in Physics

Projected Hartree Product Wavefunctions. Ii. General Considerations Of Young Operators, Gordon A. Gallup Feb 1969

Projected Hartree Product Wavefunctions. Ii. General Considerations Of Young Operators, Gordon A. Gallup

Gordon Gallup Publications

A discussion is given of the forms of two specific and one general Young operator for the irreducible representations of Sn important for fermion space functions. Comparisons are made of the projected Hartree product version of Löwdon's projected Hartree–Fock method with CI calculations. ©1969 American Institute of Physics


Projected Hartree Product Wavefunctions. Iii. Comparison With The Ci Method For H2, R.C. Morrison, Gordon A. Gallup Feb 1969

Projected Hartree Product Wavefunctions. Iii. Comparison With The Ci Method For H2, R.C. Morrison, Gordon A. Gallup

Gordon Gallup Publications

Calculations of the energy of H2 have been performed using both the projected Hartree–Fock (PHF) method and a full CI method in the same basis for comparison of the two methods. It is discovered that PHF can account for 86% of the correlation energy, whereas CI will account for 88% of the correlation energy. ©1969 American Institute of Physics