Publication | Closed Access
Tables of Atomic Functions
549
Citations
0
References
1965
Year
EngineeringPhysicsApproximation TheoryAtomic FunctionsNatural SciencesValidated NumericsApproximation 30Atomic PhysicsPeriodic SystemFunction TheoryComputational ChemistryQuantum ChemistryHartree-fock FunctionsElectronic StructureAb-initio Method
Why compute atomic Hartree-Fock functions, an approximation 30 years old, when most of contemporary physics pays relatively minor attention to atomic physics? The simple answer is that there are several unsettled problems and gaps in our knowledge of the electronic structure of the periodic system and that the Hartree-Fock method is presently the most efficient technique available. In the present literature on atomic functions there is no systematic effort comparable to the one presented in these tables, previously reported only briefly in the literature. Indeed, in the past, Hartree-Fock functions have been computed for relatively few cases, and often without sufficient accuracy.