Chemical Physics Letters · 2007 · 68 citations · 31 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsPhysical ChemistryDensity Functional TheoryMolecular BondingMolecular Orbital TheoryMolecular StructureMolecular SymmetryMolecular ThermodynamicsGeneralized Valence Bond TheoryHypervalent CompoundsModern Valence Bond TheoryMolecular MagnetismNitrogen-bearing MoleculesValence Effects
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Separable dual-space Gaussian pseudopotentials
Stefan Goedecker, M. P. Teter, Jürg Hutter · Physical review. B, Condensed matter · 1996 · 7.4K citations · Full text
Natural Sciences, Chemistry, Physics +16