Search results for " molecular ion"

showing 3 items of 3 documents

HARMONIC PROFILE IN MOLECULAR ION IN THE PRESENCE OF A LASER RADIATION FIELD

2009

harmonic profile molecular ionSettore FIS/02 - Fisica Teorica Modelli E Metodi MatematiciSettore FIS/03 - Fisica Della Materia
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Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function

1994

Coupled cluster singles and doubles linear response (CCLR) calculations have been carried out for excitation energies and dipole transition strengths for the lowest excitations in LiH, CH+, and C4and the results compared with the results from a CI-like approach to equation of motion coupled cluster (EOMCC). The transition strengths are similar in the two approaches for single molecule calculations on small systems. However, the CCLR approach gives size-intensive dipole transition strengths, while title EOMCC formalism does not. Thus, EOMCC calculations can give unphysically dipole transition strengths, e.g., in EOMCC calculations on a sequence of noninteracting LiH systems we obtained a neg…

DipolesGeneral Physics and AstronomySmall systemsExcitation ; Dipoles ; Lithium Hydrides ; Carbynes ; Cations ; Molecular Ions ; Carbon Molecules ; Equations Of Motion ; Correlations ; Response FunctionsPhysics and Astronomy (all)CationsMoleculePhysical and Theoretical Chemistry:FÍSICA::Química física [UNESCO]ExcitationCorrelationsChemistryEquations of motionCarbon MoleculesLinear response functionUNESCO::FÍSICA::Química físicaFormalism (philosophy of mathematics)DipoleCoupled clusterLithium HydridesCarbynesResponse FunctionsAtomic physicsEquations Of MotionMolecular IonsExcitationThe Journal of Chemical Physics
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Harmonic Spectra in H2⁺ in the Presence of a Laser Field

2008

Settore FIS/02 - Fisica Teorica Modelli E Metodi MatematiciHarmonic spectra molecular ionSettore FIS/03 - Fisica Della Materia
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