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Showing 2016 · physics.chem-phShow all
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physics.chem-ph2016★ 85 cited
Performance of a Nonempirical Density Functional on Molecules and Hydrogen-Bonded Complexes
Yuxiang Mo, Guocai Tian, Roberto Car +3
Recently, Tao and Mo (TM) derived a meta-generalized gradient approximation functional based on a model exchange-correlation hole. In this work, the performance of this functional…
physics.chem-ph2016★ 1 cited
A Generalized Uhlenbeck and Beth Formula for the Third Cluster Coefficient
Sigurd Yves Larsen, Monique Lassaut, Alejandro Amaya-Tapia
Relatively recently (A. Amaya-Tapia, S. Y. Larsen and M. Lassaut. Ann. Phys., vol. 306 (2011) 406), we presented a formula for the evaluation of the third Bose fugacity coefficient…