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SCF MO calculations of heteroatomic systems with the variable ? approximation

Numerical AnalysisScf Mo CalculationsNumerical ComputationEngineeringPhysicsNatural SciencesNumerical SimulationApplied PhysicsAtomic PhysicsHeteroatomic SystemsMathematical ChemistryApproximation MethodComputational ChemistryQuantum ChemistryEnergy MinimizationApproximation TheoryAb-initio Method