Browsing Center for Organic Photonics and Electronics (COPE) by Title
Now showing items 396-397 of 397
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The X-1 Sigma(+)(g), B-1 Delta(g), and B ` (1)Sigma(+)(g) states of C-2: A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks
(Georgia Institute of TechnologyAmerican Institute of Physics, 2005-03)Unusual bonding and electronic near degeneracies make the lowest-lying singlet states of the C2 molecule particularly challenging for electronic structure theory. Here we compare two alternative approaches to modeling ... -
Young modulus dependence of nanoscopic friction coefficient in hard coatings
(Georgia Institute of TechnologyAmerican Institute of Physics, 2003-08)We present an atomic force microscope study of nanoscopic sliding friction on diamond, diamond-like carbon, and on three CrN thin films with varying hardness obtained by different growth temperatures. For the CrN films, ...