International Journal of Quantum Chemistry · 1967 · 30 citations · 11 references
Natural SciencesPhysicsComputational ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsAtomic StructureElectronic StructureMolecular Orbital TheoryStructure DeterminationAb Initio CalculationsAtomic Structure CalculationsElectronic Structure Determination
Abstract The extended method of calculation of atomic structures is characterized. This method is understood as the use of as many radial orbitals as there are electrons in the atom under consideration. The process of passing from the ordinary method of calculation to the extended one is described. In the method proposed the additional complications appear within the confines of dealing with radial variables only. The general rules for carrying out the calculations, in applying the extended method, are formulated.
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Theory of Complex Spectra. III
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