Search Results - "Diaconu, Cristian V."

Mott transition of MnO under pressure: A comparison of correlated band theories by Kasinathan, Deepa, Kuneš, J., Koepernik, K., Diaconu, Cristian V., Martin, Richard L., Prodan, Ionuţ D., Scuseria, Gustavo E., Spaldin, Nicola, Petit, L., Schulthess, T. C., Pickett, W. E.

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Application-Aware Lifetime Model for Power Devices based on Electro-Thermal Simulation by Pop, Ciprian V., Buzo, Andi, Diaconu, Cristian V., Pelz, Georg, Cucu, Horia, Burileanu, Cotneliu

“…The active cycling (repetitive clamping) of power devices is a time consuming process. For this reason, a limited amount of reliability data is available and…”
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Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets by Paier, Joachim, Diaconu, Cristian V., Scuseria, Gustavo E., Guidon, Manuel, VandeVondele, Joost, Hutter, Jürg

“…Calculating highly accurate thermochemical properties of condensed matter via wave-function-based approaches (such as, e.g., Hartree-Fock or hybrid…”
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Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials by Lucero, Melissa J., Aguilera, Irene, Diaconu, Cristian V., Palacios, Pablo, Wahnón, Perla, Scuseria, Gustavo E.

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Hybrid density functional studies of hydrogen storage related molecular systems by Diaconu, Cristian V

“…A major obstacle to the conversion to a “hydrogen economy” is the problem of onboard hydrogen storage. Despite decades of extensive effort no material has been…”
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Hybrid density functional studies of hydrogen storage related molecular systems by Diaconu, Cristian V

“…A major obstacle to the conversion to a "hydrogen economy" is the problem of onboard hydrogen storage. Despite decades of extensive effort no material has been…”
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Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets by Paier, Joachim, Diaconu, Cristian V, Scuseria, Gustavo E, Guidon, Manuel, VandeVondele, Joost, Hutter, Jürg

“…Calculating highly accurate thermochemical properties of condensed matter via wave function-based approaches (such as e.g. Hartree-Fock or hybrid functionals)…”
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Broken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride by Diaconu, Cristian V, Cho, Art E, Doll, J. D, Freeman, David L

“…J. Chem. Phys. 121, 10026 (2004) In the present work we investigate the adequacy of broken-symmetry unrestricted density functional theory (DFT) for…”
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Mott Transition of MnO under Pressure: Comparison of Correlated Band Theories by Kasinathan, Deepa, Kunes, J, Koepernik, K, Diaconu, Cristian V, Martin, Richard L, Prodan, Ionut, Scuseria, Gustavo E, Spaldin, Nicola, Petit, L, Schulthess, T. C, Pickett, W. E

“…The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local…”
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