Physical Review A · 2009 · 19 citations · 57 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsAtomic PolarizabilityComputational Quantum ChemistryMolecular Orbital TheoryAb Initio CalculationsAb Initio Molecular CalculationsAb Initio Polarizability CalculationsAlkali Metal ChemistryMolecular PolarizabilityNonpolar SolventsPolarizability EffectsQuantum Defect Theory
The method of reduced-added Green's function in quantum defect approximation [V. E. Chernov, D. L. Dorofeev, I. Yu. Kretinin, and B. A. Zon, Phys. Rev. A 71, 022505 (2005)] is generalized for calculation of dynamic polarizabilities of nonpolar molecules. The method is applied to alkali-metal dimers ${\text{Li}}_{2}$, ${\text{Na}}_{2}$, and ${\text{Rb}}_{2}$. The accuracy achieved in benchmark calculation (${\text{H}}_{2}$ molecule) is comparable to that of ab initio calculations.
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New Developments in Molecular Orbital Theory
Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations
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<i>Colloquium</i>: Aligning molecules with strong laser pulses
Henrik Stapelfeldt, Tamar Seideman · Reviews of Modern Physics · 2003 · 1.8K citations · Full text
Natural Sciences, Chemistry, Physics +17