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“... for linear and nonlinear eigenvalue problems arising from electronic structure calculation. We focus...”
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“...-scale electronic structure program package is reported and the calculation of dynamical vibrational...”
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“... . It is divided into two main parts: (i) the evaluation of the spin-orbit coupling (SOC) effects on the electronic...”
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“... that the acenes geometry is highly coupled to their electronic structure.We can consider extending this study...”
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“... contribution to both the experimental effort to determine the electronic structure of strongly correlated...”
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“... by experiment at finite T. We show that the transition is related to a complex rearrangement of the electronic...”
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“... to describe very precisely the electronic structure of molecular systems. In this manuscript, a precise...”
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“.... By doing IS study, the electronic structure, charge carrier lifetime (tn), transport/collection time (ttr...”
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“... to compute with reasonable precision the K and L-shell photoabsorption spectra combining electronic structure...”
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“... the evolution of empty states of graphene and the consequences on the electronic structure. The edges...”
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“..., precursor metallic phase of the MIT. Studies of the electronic structure of BaNiS2 by angle-resolved...”
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“...) is used to obtain further insights in the electronic structure of the phthalocyanines.We aim to obtain a...”
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“... as applications of continuum quantum Monte Carlo (QMC) methods for electronic structure calculations by first...”
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