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CiteWeb id: 19930000021

CiteWeb score: 10396

DOI: 10.1063/1.464304

Previous attempts to combine Hartree–Fock theory with local density‐functional theory have been unsuccessful in applications to molecular bonding. We derive a new coupling of these two theories that maintains their simplicity and computational efficiency, and yet greatly improves their predictive power. Very encouraging results of tests on atomization energies, ionization potentials, and proton affinities are reported, and the potential for future development is discussed.

The publication "A New Mixing of Hartree-Fock and Local Density-Functional Theories" is placed in the Top 1000 of the best publications in CiteWeb. Also in the category Chemistry it is included to the Top 100. Additionally, the publicaiton "A New Mixing of Hartree-Fock and Local Density-Functional Theories" is placed in the Top 100 among other scientific works published in 1993.
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