Chemical Physics · 2000 · 100 citations · 19 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsDensity Functional TheoryElectronic StructureInteratomic PotentialsMolecular Orbital TheoryMolecular StructureElectronic Structure AnalysisElectronic Structure Of MoleculesElectronic Structure SimulationElectronic Structure TheoryGround State PropertiesSymmetry In Molecular Orbitals
19
Convergence of an improved CIPSI algorithm
Stefano Evangelisti, Jean‐Pierre Daudey, Jean‐Paul Malrieu · Chemical Physics · 1983 · 449 citations