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Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution
(Royal Society of Chemistry, 2016-08)
Dendrimers are arrays of coupled chromophores, where the energy of each unit depends on its structure and conformation. The light harvesting and energy funneling properties are strongly dependent on their highly branched ...
Internal Conversion and Vibrational Energy Redistribution in Chlorophyll A
(American Chemical Society, 2015-12)
We have computationally investigated the role of intramolecular vibrational modes in determining nonradiative relaxation pathways of photoexcited electronic states in isolated chlorophyll A (ChlA) molecules. To simulate ...
Resonance states in a cylindrical quantum dot with an external magnetic field
(2014)
Bound and resonance states of quantum dots play a significant role in photo-absorption processes. In this work, we analyze a cylindrical quantum dot, its spectrum and, in particular, the behaviour of the lowest resonance ...
Industrial decarbonization by a new energy baseline methodology. Case study
(MDPIBasel, Switzerland, 2020-03-04)
The main target of climate change policies in the majority of industrialized countries is
to reduce energy consumption in their facilities, which would reduce the carbon emissions that are
generated. Through this idea, ...
Three-body molecular states of the LiH2+ system in the Born–Oppenheimer approximation
(John Wiley & Sons Inc, 2018-08)
In this work, we present a quantum mechanical treatment of the three-body (Formula presented.) molecular system in the Born–Oppenheimer (BO) approximation, were the nuclei dynamics is evaluated over the potential energy ...
Variational calculation of positronium-helium-atom scattering length
(2001-08-01)
A basis-set calculation scheme for S-waves Ps-He elastic scattering below the lowest inelastic threshold was formulated using a variational expression for the transition matrix. The scheme was illustrated numerically by ...
Variational calculation of positronium-helium-atom scattering length
(2001-08-01)
A basis-set calculation scheme for S-waves Ps-He elastic scattering below the lowest inelastic threshold was formulated using a variational expression for the transition matrix. The scheme was illustrated numerically by ...
Effective theory for trapped few-fermion systems
(Amer Physical Soc, 2007-12-01)
We apply the general principles of effective field theories to the construction of effective interactions suitable for few- and many-body calculations in a no-core shell model framework. We calculate the spectrum of systems ...