Global ETD Search
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Showing 1 to 3 of 3 for “"linear response properties"”.
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Towards an Improved Method for the Prediction of Linear Response Properties of Small Organic Molecules
… methods to predict experimental chiroptical properties by solving the time-dependent Schrödinger equation are useful in the assignment of absolute configurations. Chiroptical properties, being very sensitive to the electronic structure of the system, require highly-accurate methods on the one …
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Phonon-quasiparticle interactions in dilute solutions of He3 in superfluid He4
… He4 and the role they play in determining the linear response prQperties of such solutions are examined. The vertices for phonon scattering and absorption by He3 quasiparticles as well as the effective interaction between quasiparticles are discussed from the microscopic theory. Much of the …
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Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties
… coupled cluster theory to calculate ground-state properties of molecular systems with hundreds of heavy atoms in reasonable computational time. However, efforts towards extension of these methods for describing response properties like polarizabilities, optical rotations, etc., which are related …