نتایج جستجو برای: hartree

تعداد نتایج: 5668  

2014

This chapter presents the Hartree-Fock method with an emphasis on computing the energies of selected closed-shell atoms.

Journal: :Bulletin of the Chemical Society of Japan 1980

Journal: :Progress of Theoretical Physics Supplement 1983

Journal: :Journal of Statistical Physics 2011

A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for small intermolecular distances. A set of modified numerical tables for the accurate calculation of the nonspherical contribution to the sec...

Journal: :Progress of Theoretical Physics 1968

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